(1R)-1-(2-phenylmethoxyphenyl)pentan-1-amine;hydrochloride

C18H24ClNO — CID 171214274

IUPAC(1R)-1-(2-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
SMILESCCCC[C@@H](N)c1ccccc1OCc1ccccc1.Cl
InChIInChI=1S/C18H23NO.ClH/c1-2-3-12-17(19)16-11-7-8-13-18(16)20-14-15-9-5-4-6-10-15;/h4-11,13,17H,2-3,12,14,19H2,1H3;1H/t17-;/m1./s1
InChIKeyXIVKOHFRVLSAHQ-UNTBIKODSA-N
MW305.85 g/mol
LogP4.88
Rot. Bonds7

About (1R)-1-(2-phenylmethoxyphenyl)pentan-1-amine;hydrochloride

(1R)-1-(2-phenylmethoxyphenyl)pentan-1-amine;hydrochloride (PubChem CID 171214274) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is (1R)-1-(2-phenylmethoxyphenyl)pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
PubChem CID171214274
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC Name(1R)-1-(2-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
SMILESCCCC[C@@H](N)c1ccccc1OCc1ccccc1.Cl
InChIInChI=1S/C18H23NO.ClH/c1-2-3-12-17(19)16-11-7-8-13-18(16)20-14-15-9-5-4-6-10-15;/h4-11,13,17H,2-3,12,14,19H2,1H3;1H/t17-;/m1./s1
InChIKeyXIVKOHFRVLSAHQ-UNTBIKODSA-N
XLogP4.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-1-(2-phenylmethoxyphenyl)pentan-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

(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171230016
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
ethyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate;hydrochloride
CID 171214311
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171214333
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171212991
2-amino-2-(2-phenylmethoxyphenyl)ethanol
CID 77130440
(1R)-1-[2-(difluoromethoxy)phenyl]pentan-1-amine;hydrochloride
CID 171211366
1-(2-propoxyphenyl)nonan-1-amine
CID 105035941
(1S)-1-(2-propan-2-yloxyphenyl)pentan-1-amine
CID 171231533
3-phenyl-1-(2-propoxyphenyl)propan-1-amine
CID 104659951
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
CID 171212993
(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
CID 171214526

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-phenylmethoxyphenyl)pentan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(2-phenylmethoxyphenyl)pentan-1-amine;hydrochloride (CID 171214274) is (1R)-1-(2-phenylmethoxyphenyl)pentan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2-phenylmethoxyphenyl)pentan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2-phenylmethoxyphenyl)pentan-1-amine;hydrochloride is CCCC[C@@H](N)c1ccccc1OCc1ccccc1.Cl.
What is the InChIKey of (1R)-1-(2-phenylmethoxyphenyl)pentan-1-amine;hydrochloride?
The InChIKey is XIVKOHFRVLSAHQ-UNTBIKODSA-N. The full InChI is InChI=1S/C18H23NO.ClH/c1-2-3-12-17(19)16-11-7-8-13-18(16)20-14-15-9-5-4-6-10-15;/h4-11,13,17H,2-3,12,14,19H2,1H3;1H/t17-;/m1./s1.
What are the key properties of (1R)-1-(2-phenylmethoxyphenyl)pentan-1-amine;hydrochloride?
(1R)-1-(2-phenylmethoxyphenyl)pentan-1-amine;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-phenylmethoxyphenyl)pentan-1-amine;hydrochloride is sourced from PubChem (CID 171214274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).