cis-(1R,2R)-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxymethyl]-N-methylcyclopropan-1-amine;hydrochloride

C19H21ClN2O2 — CID 70124895

IUPACcis-(1R,2R)-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxymethyl]-N-methylcyclopropan-1-amine;hydrochloride
SMILESCN[C@@H]1C[C@H]1COCc1ccc(-c2nc3ccccc3o2)cc1.Cl
InChIInChI=1S/C19H20N2O2.ClH/c1-20-17-10-15(17)12-22-11-13-6-8-14(9-7-13)19-21-16-4-2-3-5-18(16)23-19;/h2-9,15,17,20H,10-12H2,1H3;1H/t15-,17+;/m0./s1
InChIKeyKSTKYIYFDKKKAU-KPVRICSOSA-N
MW344.84 g/mol
LogP4.04
Rot. Bonds6

About cis-(1R,2R)-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxymethyl]-N-methylcyclopropan-1-amine;hydrochloride

cis-(1R,2R)-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxymethyl]-N-methylcyclopropan-1-amine;hydrochloride (PubChem CID 70124895) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is cis-(1R,2R)-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxymethyl]-N-methylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Namecis-(1R,2R)-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxymethyl]-N-methylcyclopropan-1-amine;hydrochloride
PubChem CID70124895
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Namecis-(1R,2R)-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxymethyl]-N-methylcyclopropan-1-amine;hydrochloride
SMILESCN[C@@H]1C[C@H]1COCc1ccc(-c2nc3ccccc3o2)cc1.Cl
InChIInChI=1S/C19H20N2O2.ClH/c1-20-17-10-15(17)12-22-11-13-6-8-14(9-7-13)19-21-16-4-2-3-5-18(16)23-19;/h2-9,15,17,20H,10-12H2,1H3;1H/t15-,17+;/m0./s1
InChIKeyKSTKYIYFDKKKAU-KPVRICSOSA-N
XLogP4.04
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1R,2R)-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxymethyl]-N-methylcyclopropan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,2R)-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxymethyl]-N-methylcyclopropan-1-amine
CID 54169066
trans-(1S,3S)-3-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]cyclohexan-1-amine
CID 22856085
2-[4-[(4-methylphenyl)methoxy]phenyl]-1,3-benzoxazole
CID 91678637
2-[(1R,3R)-3-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]cyclopentyl]ethanol
CID 70122051
1-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]adamantan-2-amine
CID 15198021
1-amino-4-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]cyclohexan-1-ol
CID 19384381
2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole
CID 58943106
N-[2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]ethyl]-6-phenylhexan-1-amine
CID 15389015
(1S,2R,6S)-2-amino-6-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]cyclohexan-1-ol
CID 22856077
cis-(1S,2R)-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]-N-tritylcyclohexan-1-amine
CID 54326495
acetic acid;2-[(1S,2R,3R)-3-amino-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]cyclopentyl]ethanol
CID 70122004
[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxy]phenyl]methanol
CID 58057288

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxymethyl]-N-methylcyclopropan-1-amine;hydrochloride?
The IUPAC name of cis-(1R,2R)-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxymethyl]-N-methylcyclopropan-1-amine;hydrochloride (CID 70124895) is cis-(1R,2R)-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxymethyl]-N-methylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for cis-(1R,2R)-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxymethyl]-N-methylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for cis-(1R,2R)-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxymethyl]-N-methylcyclopropan-1-amine;hydrochloride is CN[C@@H]1C[C@H]1COCc1ccc(-c2nc3ccccc3o2)cc1.Cl.
What is the InChIKey of cis-(1R,2R)-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxymethyl]-N-methylcyclopropan-1-amine;hydrochloride?
The InChIKey is KSTKYIYFDKKKAU-KPVRICSOSA-N. The full InChI is InChI=1S/C19H20N2O2.ClH/c1-20-17-10-15(17)12-22-11-13-6-8-14(9-7-13)19-21-16-4-2-3-5-18(16)23-19;/h2-9,15,17,20H,10-12H2,1H3;1H/t15-,17+;/m0./s1.
What are the key properties of cis-(1R,2R)-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxymethyl]-N-methylcyclopropan-1-amine;hydrochloride?
cis-(1R,2R)-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxymethyl]-N-methylcyclopropan-1-amine;hydrochloride has a molecular weight of 344.84 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxymethyl]-N-methylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 70124895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).