(4-chlorophenyl)methyl-[(2R)-1-(4-methoxyphenyl)propan-2-yl]azanium

C17H21ClNO+ — CID 2245111

IUPAC(4-chlorophenyl)methyl-[(2R)-1-(4-methoxyphenyl)propan-2-yl]azanium
SMILESCOc1ccc(C[C@@H](C)[NH2+]Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClNO/c1-13(11-14-5-9-17(20-2)10-6-14)19-12-15-3-7-16(18)8-4-15/h3-10,13,19H,11-12H2,1-2H3/p+1/t13-/m1/s1
InChIKeyFDIYWYKSXVYXQM-CYBMUJFWSA-O
MW290.81 g/mol
LogP3.04
Rot. Bonds6

About (4-chlorophenyl)methyl-[(2R)-1-(4-methoxyphenyl)propan-2-yl]azanium

(4-chlorophenyl)methyl-[(2R)-1-(4-methoxyphenyl)propan-2-yl]azanium (PubChem CID 2245111) has the molecular formula C17H21ClNO+ and a molecular weight of 290.81 g/mol. Its IUPAC name is (4-chlorophenyl)methyl-[(2R)-1-(4-methoxyphenyl)propan-2-yl]azanium.

Molecular Properties

Compound Name(4-chlorophenyl)methyl-[(2R)-1-(4-methoxyphenyl)propan-2-yl]azanium
PubChem CID2245111
Molecular FormulaC17H21ClNO+
Molecular Weight290.81 g/mol
Exact Mass290.13
IUPAC Name(4-chlorophenyl)methyl-[(2R)-1-(4-methoxyphenyl)propan-2-yl]azanium
SMILESCOc1ccc(C[C@@H](C)[NH2+]Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClNO/c1-13(11-14-5-9-17(20-2)10-6-14)19-12-15-3-7-16(18)8-4-15/h3-10,13,19H,11-12H2,1-2H3/p+1/t13-/m1/s1
InChIKeyFDIYWYKSXVYXQM-CYBMUJFWSA-O
XLogP3.04
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.81
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4-chlorophenyl)methyl-[(2R)-1-(4-methoxyphenyl)propan-2-yl]azanium 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

(4-methoxyphenyl)methyl-[(2R)-1-phenylpropan-2-yl]azanium
CID 7045470
1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61375521
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 43481478
(4-chlorophenyl)methanamine;(4-methoxyphenyl)methanamine
CID 69469244
1-(4-methoxyphenyl)propane-2-thiol
CID 63272833
1-methoxy-4-[(2R)-2-methoxypropyl]benzene
CID 138984863
N-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylaniline
CID 154621165
(1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 28738276
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
1-[4-[4-(4-chlorophenoxy)phenoxy]phenyl]propan-2-amine
CID 143625777
1-(2-chloro-4-methylpentyl)-4-methoxybenzene
CID 63017578
1-(4-methoxyphenyl)propan-2-ylhydrazine;dihydrochloride
CID 70058414

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl-[(2R)-1-(4-methoxyphenyl)propan-2-yl]azanium?
The IUPAC name of (4-chlorophenyl)methyl-[(2R)-1-(4-methoxyphenyl)propan-2-yl]azanium (CID 2245111) is (4-chlorophenyl)methyl-[(2R)-1-(4-methoxyphenyl)propan-2-yl]azanium.
What is the SMILES notation for (4-chlorophenyl)methyl-[(2R)-1-(4-methoxyphenyl)propan-2-yl]azanium?
The canonical SMILES for (4-chlorophenyl)methyl-[(2R)-1-(4-methoxyphenyl)propan-2-yl]azanium is COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of (4-chlorophenyl)methyl-[(2R)-1-(4-methoxyphenyl)propan-2-yl]azanium?
The InChIKey is FDIYWYKSXVYXQM-CYBMUJFWSA-O. The full InChI is InChI=1S/C17H20ClNO/c1-13(11-14-5-9-17(20-2)10-6-14)19-12-15-3-7-16(18)8-4-15/h3-10,13,19H,11-12H2,1-2H3/p+1/t13-/m1/s1.
What are the key properties of (4-chlorophenyl)methyl-[(2R)-1-(4-methoxyphenyl)propan-2-yl]azanium?
(4-chlorophenyl)methyl-[(2R)-1-(4-methoxyphenyl)propan-2-yl]azanium has a molecular weight of 290.81 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl-[(2R)-1-(4-methoxyphenyl)propan-2-yl]azanium is sourced from PubChem (CID 2245111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).