(1S)-1-(4-methylphenyl)-N-(2-phenoxyethyl)ethanamine

C17H21NO — CID 81357239

IUPAC(1S)-1-(4-methylphenyl)-N-(2-phenoxyethyl)ethanamine
SMILESCc1ccc([C@H](C)NCCOc2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-14-8-10-16(11-9-14)15(2)18-12-13-19-17-6-4-3-5-7-17/h3-11,15,18H,12-13H2,1-2H3/t15-/m0/s1
InChIKeyPVSDZOVXAHGLKG-HNNXBMFYSA-N
MW255.36 g/mol
LogP3.72
Rot. Bonds6

About (1S)-1-(4-methylphenyl)-N-(2-phenoxyethyl)ethanamine

(1S)-1-(4-methylphenyl)-N-(2-phenoxyethyl)ethanamine (PubChem CID 81357239) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (1S)-1-(4-methylphenyl)-N-(2-phenoxyethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-methylphenyl)-N-(2-phenoxyethyl)ethanamine
PubChem CID81357239
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(1S)-1-(4-methylphenyl)-N-(2-phenoxyethyl)ethanamine
SMILESCc1ccc([C@H](C)NCCOc2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-14-8-10-16(11-9-14)15(2)18-12-13-19-17-6-4-3-5-7-17/h3-11,15,18H,12-13H2,1-2H3/t15-/m0/s1
InChIKeyPVSDZOVXAHGLKG-HNNXBMFYSA-N
XLogP3.72
TPSA21.26 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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine
CID 112798597
N-[1-(3,4-dimethylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 63476953
3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81409698
N-[(1R)-1-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 81361126
(1S)-N-(2-phenoxyethyl)-1-pyridin-3-ylethanamine
CID 81404248
(1S)-N-(2-methoxyethyl)-1-(4-methylphenyl)ethanamine
CID 26601188
N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-(4-methylphenoxy)propan-1-amine
CID 166384960
3-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 2183586
(1S)-1-(3-bromophenyl)-N-(2-phenoxyethyl)ethanamine
CID 81381212
3-[2-(1-phenylethylamino)ethoxy]aniline
CID 112509070
N-[2-(4-methylphenoxy)ethyl]propan-2-amine
CID 17178065
N-[2-(4-methylphenoxy)ethyl]-2-phenoxyethanamine;hydrochloride
CID 18793114

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methylphenyl)-N-(2-phenoxyethyl)ethanamine?
The IUPAC name of (1S)-1-(4-methylphenyl)-N-(2-phenoxyethyl)ethanamine (CID 81357239) is (1S)-1-(4-methylphenyl)-N-(2-phenoxyethyl)ethanamine.
What is the SMILES notation for (1S)-1-(4-methylphenyl)-N-(2-phenoxyethyl)ethanamine?
The canonical SMILES for (1S)-1-(4-methylphenyl)-N-(2-phenoxyethyl)ethanamine is Cc1ccc([C@H](C)NCCOc2ccccc2)cc1.
What is the InChIKey of (1S)-1-(4-methylphenyl)-N-(2-phenoxyethyl)ethanamine?
The InChIKey is PVSDZOVXAHGLKG-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21NO/c1-14-8-10-16(11-9-14)15(2)18-12-13-19-17-6-4-3-5-7-17/h3-11,15,18H,12-13H2,1-2H3/t15-/m0/s1.
What are the key properties of (1S)-1-(4-methylphenyl)-N-(2-phenoxyethyl)ethanamine?
(1S)-1-(4-methylphenyl)-N-(2-phenoxyethyl)ethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methylphenyl)-N-(2-phenoxyethyl)ethanamine is sourced from PubChem (CID 81357239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).