(1S)-1-(3-phenylmethoxyphenyl)butan-1-amine

C17H21NO — CID 139719271

IUPAC(1S)-1-(3-phenylmethoxyphenyl)butan-1-amine
SMILESCCC[C@H](N)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C17H21NO/c1-2-7-17(18)15-10-6-11-16(12-15)19-13-14-8-4-3-5-9-14/h3-6,8-12,17H,2,7,13,18H2,1H3/t17-/m0/s1
InChIKeyKRABSVJXTXIVFI-KRWDZBQOSA-N
MW255.36 g/mol
LogP4.07
Rot. Bonds6

About (1S)-1-(3-phenylmethoxyphenyl)butan-1-amine

(1S)-1-(3-phenylmethoxyphenyl)butan-1-amine (PubChem CID 139719271) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (1S)-1-(3-phenylmethoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name(1S)-1-(3-phenylmethoxyphenyl)butan-1-amine
PubChem CID139719271
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(1S)-1-(3-phenylmethoxyphenyl)butan-1-amine
SMILESCCC[C@H](N)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C17H21NO/c1-2-7-17(18)15-10-6-11-16(12-15)19-13-14-8-4-3-5-9-14/h3-6,8-12,17H,2,7,13,18H2,1H3/t17-/m0/s1
InChIKeyKRABSVJXTXIVFI-KRWDZBQOSA-N
XLogP4.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-(3-phenylmethoxyphenyl)butan-1-amine 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-phenylmethoxyphenyl)propane-1,3-diamine
CID 171211251
(1S)-1-(3-phenylmethoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171230857
(1R)-1-(3-phenylmethoxyphenyl)pentane-1,5-diamine
CID 171211255
1-hexan-3-yl-3-phenylmethoxybenzene
CID 91388461
(2R)-2-amino-2-(3-phenylmethoxyphenyl)ethanol
CID 66515455
(1R)-4,4,4-trifluoro-1-(3-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171211275
(1S)-3-methyl-1-(3-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171230868
1-(3-ethoxyphenyl)-3-phenylpropan-1-amine
CID 60817898
1-(3-phenylmethoxyphenyl)but-3-yn-1-amine
CID 105077619
(1S)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171243477
(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
CID 171270166
(1R)-2-cyclopropyl-1-(3-phenylmethoxyphenyl)ethanamine
CID 171211270

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-phenylmethoxyphenyl)butan-1-amine?
The IUPAC name of (1S)-1-(3-phenylmethoxyphenyl)butan-1-amine (CID 139719271) is (1S)-1-(3-phenylmethoxyphenyl)butan-1-amine.
What is the SMILES notation for (1S)-1-(3-phenylmethoxyphenyl)butan-1-amine?
The canonical SMILES for (1S)-1-(3-phenylmethoxyphenyl)butan-1-amine is CCC[C@H](N)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of (1S)-1-(3-phenylmethoxyphenyl)butan-1-amine?
The InChIKey is KRABSVJXTXIVFI-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-7-17(18)15-10-6-11-16(12-15)19-13-14-8-4-3-5-9-14/h3-6,8-12,17H,2,7,13,18H2,1H3/t17-/m0/s1.
What are the key properties of (1S)-1-(3-phenylmethoxyphenyl)butan-1-amine?
(1S)-1-(3-phenylmethoxyphenyl)butan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-phenylmethoxyphenyl)butan-1-amine is sourced from PubChem (CID 139719271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).