(1S)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine;hydrochloride

C17H20ClNO — CID 171220070

IUPAC(1S)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine;hydrochloride
SMILESCl.N[C@@H](CC1CC1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H19NO.ClH/c18-17(11-13-9-10-13)14-5-4-8-16(12-14)19-15-6-2-1-3-7-15;/h1-8,12-13,17H,9-11,18H2;1H/t17-;/m0./s1
InChIKeyHAZMJEOLTVPLBB-LMOVPXPDSA-N
MW289.81 g/mol
LogP4.70
Rot. Bonds5

About (1S)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine;hydrochloride

(1S)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine;hydrochloride (PubChem CID 171220070) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is (1S)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine;hydrochloride
PubChem CID171220070
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name(1S)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine;hydrochloride
SMILESCl.N[C@@H](CC1CC1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H19NO.ClH/c18-17(11-13-9-10-13)14-5-4-8-16(12-14)19-15-6-2-1-3-7-15;/h1-8,12-13,17H,9-11,18H2;1H/t17-;/m0./s1
InChIKeyHAZMJEOLTVPLBB-LMOVPXPDSA-N
XLogP4.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine;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

(1R)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine
CID 171200529
2-cyclopropyl-1-(3-methoxyphenyl)ethanamine
CID 55295548
(1R)-2-cyclopropyl-1-(3-phenylmethoxyphenyl)ethanamine
CID 171211270
(1R)-2-fluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride
CID 171220046
2-cyclopentyl-1-(4-phenoxyphenyl)ethanamine
CID 45253768
(S)-cyclohexyl-(3-phenoxyphenyl)methanamine;hydrochloride
CID 171220083
(1R)-1-(3-phenoxyphenyl)propane-1,3-diamine
CID 171200508
(1S)-3-methyl-1-(3-phenoxyphenyl)butan-1-amine;hydrochloride
CID 171220068
3-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
CID 171218055
(1S)-3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride
CID 171220071
(R)-(3-phenoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314167
2-cyclobutyl-1-phenylethanamine;hydrochloride
CID 131675142

Frequently Asked Questions

What is the IUPAC name of (1S)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine;hydrochloride?
The IUPAC name of (1S)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine;hydrochloride (CID 171220070) is (1S)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine;hydrochloride is Cl.N[C@@H](CC1CC1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (1S)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine;hydrochloride?
The InChIKey is HAZMJEOLTVPLBB-LMOVPXPDSA-N. The full InChI is InChI=1S/C17H19NO.ClH/c18-17(11-13-9-10-13)14-5-4-8-16(12-14)19-15-6-2-1-3-7-15;/h1-8,12-13,17H,9-11,18H2;1H/t17-;/m0./s1.
What are the key properties of (1S)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine;hydrochloride?
(1S)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 171220070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).