(1R)-1-(4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride

C19H26ClNO — CID 171211172

IUPAC(1R)-1-(4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
SMILESCCCCC[C@@H](N)c1ccc(OCc2ccccc2)cc1.Cl
InChIInChI=1S/C19H25NO.ClH/c1-2-3-5-10-19(20)17-11-13-18(14-12-17)21-15-16-8-6-4-7-9-16;/h4,6-9,11-14,19H,2-3,5,10,15,20H2,1H3;1H/t19-;/m1./s1
InChIKeyHLVKQTARNXHBEE-FSRHSHDFSA-N
MW319.88 g/mol
LogP5.27
Rot. Bonds8

About (1R)-1-(4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride

(1R)-1-(4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride (PubChem CID 171211172) has the molecular formula C19H26ClNO and a molecular weight of 319.88 g/mol. Its IUPAC name is (1R)-1-(4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
PubChem CID171211172
Molecular FormulaC19H26ClNO
Molecular Weight319.88 g/mol
Exact Mass319.17
IUPAC Name(1R)-1-(4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
SMILESCCCCC[C@@H](N)c1ccc(OCc2ccccc2)cc1.Cl
InChIInChI=1S/C19H25NO.ClH/c1-2-3-5-10-19(20)17-11-13-18(14-12-17)21-15-16-8-6-4-7-9-16;/h4,6-9,11-14,19H,2-3,5,10,15,20H2,1H3;1H/t19-;/m1./s1
InChIKeyHLVKQTARNXHBEE-FSRHSHDFSA-N
XLogP5.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.88
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1R)-1-(4-phenylmethoxyphenyl)hexan-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-(4-phenylmethoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171211160
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
CID 171212993
1-(4-phenylmethoxyphenyl)hexan-1-ol
CID 65145694
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
1-(4-phenylmethoxyphenyl)heptadecan-1-ol
CID 139807758
(1R)-1-(4-phenoxyphenyl)hexan-1-amine
CID 28979758
(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
CID 171214526
1-phenylhexan-1-amine;hydrochloride
CID 3033249
(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171230016
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171212991
(1S)-4,4,4-trifluoro-1-(4-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171230781
(1S)-1-(4-phenylmethoxyphenyl)pent-4-en-1-amine;hydrochloride
CID 171230797

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride (CID 171211172) is (1R)-1-(4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride is CCCCC[C@@H](N)c1ccc(OCc2ccccc2)cc1.Cl.
What is the InChIKey of (1R)-1-(4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride?
The InChIKey is HLVKQTARNXHBEE-FSRHSHDFSA-N. The full InChI is InChI=1S/C19H25NO.ClH/c1-2-3-5-10-19(20)17-11-13-18(14-12-17)21-15-16-8-6-4-7-9-16;/h4,6-9,11-14,19H,2-3,5,10,15,20H2,1H3;1H/t19-;/m1./s1.
What are the key properties of (1R)-1-(4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride?
(1R)-1-(4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride has a molecular weight of 319.88 g/mol, XLogP of 5.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride is sourced from PubChem (CID 171211172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).