(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-amine;hydrochloride

C18H24ClNO2 — CID 171210406

IUPAC(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
SMILESCCOc1cc([C@H](N)CC)ccc1OCc1ccccc1.Cl
InChIInChI=1S/C18H23NO2.ClH/c1-3-16(19)15-10-11-17(18(12-15)20-4-2)21-13-14-8-6-5-7-9-14;/h5-12,16H,3-4,13,19H2,1-2H3;1H/t16-;/m1./s1
InChIKeyHZVHCMDHEFCEHW-PKLMIRHRSA-N
MW321.85 g/mol
LogP4.50
Rot. Bonds7

About (1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-amine;hydrochloride

(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-amine;hydrochloride (PubChem CID 171210406) has the molecular formula C18H24ClNO2 and a molecular weight of 321.85 g/mol. Its IUPAC name is (1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
PubChem CID171210406
Molecular FormulaC18H24ClNO2
Molecular Weight321.85 g/mol
Exact Mass321.15
IUPAC Name(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
SMILESCCOc1cc([C@H](N)CC)ccc1OCc1ccccc1.Cl
InChIInChI=1S/C18H23NO2.ClH/c1-3-16(19)15-10-11-17(18(12-15)20-4-2)21-13-14-8-6-5-7-9-14;/h5-12,16H,3-4,13,19H2,1-2H3;1H/t16-;/m1./s1
InChIKeyHZVHCMDHEFCEHW-PKLMIRHRSA-N
XLogP4.50
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-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

(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)but-3-en-1-amine;hydrochloride
CID 171210412
(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171230016
(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171210418
(2S)-2-amino-2-(3-ethoxy-4-phenylmethoxyphenyl)ethanol
CID 66515702
(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)-3-methylbutan-1-amine
CID 171230019
(4S)-4-amino-4-(3-ethoxy-4-phenylmethoxyphenyl)butan-1-ol;hydrochloride
CID 171230057
(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)-3,3-difluoropropan-1-amine
CID 171313199
(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)butane-1,4-diamine
CID 171230001
3-amino-3-(3-ethoxy-4-phenylmethoxyphenyl)propanoic acid
CID 16642004
(3S)-3-amino-3-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-ol
CID 171230054
(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171243156
(1S,2R)-1-amino-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-2-ol;hydrochloride
CID 171269893

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-amine;hydrochloride (CID 171210406) is (1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-amine;hydrochloride is CCOc1cc([C@H](N)CC)ccc1OCc1ccccc1.Cl.
What is the InChIKey of (1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-amine;hydrochloride?
The InChIKey is HZVHCMDHEFCEHW-PKLMIRHRSA-N. The full InChI is InChI=1S/C18H23NO2.ClH/c1-3-16(19)15-10-11-17(18(12-15)20-4-2)21-13-14-8-6-5-7-9-14;/h5-12,16H,3-4,13,19H2,1-2H3;1H/t16-;/m1./s1.
What are the key properties of (1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-amine;hydrochloride?
(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-amine;hydrochloride has a molecular weight of 321.85 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171210406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).