(2S)-1-phenyl-N-phenylmethoxybutan-2-amine

C17H21NO — CID 124575121

IUPAC(2S)-1-phenyl-N-phenylmethoxybutan-2-amine
SMILESCC[C@@H](Cc1ccccc1)NOCc1ccccc1
InChIInChI=1S/C17H21NO/c1-2-17(13-15-9-5-3-6-10-15)18-19-14-16-11-7-4-8-12-16/h3-12,17-18H,2,13-14H2,1H3/t17-/m0/s1
InChIKeyNFKZBJCLARERFP-KRWDZBQOSA-N
MW255.36 g/mol
LogP3.73
Rot. Bonds7

About (2S)-1-phenyl-N-phenylmethoxybutan-2-amine

(2S)-1-phenyl-N-phenylmethoxybutan-2-amine (PubChem CID 124575121) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (2S)-1-phenyl-N-phenylmethoxybutan-2-amine.

Molecular Properties

Compound Name(2S)-1-phenyl-N-phenylmethoxybutan-2-amine
PubChem CID124575121
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(2S)-1-phenyl-N-phenylmethoxybutan-2-amine
SMILESCC[C@@H](Cc1ccccc1)NOCc1ccccc1
InChIInChI=1S/C17H21NO/c1-2-17(13-15-9-5-3-6-10-15)18-19-14-16-11-7-4-8-12-16/h3-12,17-18H,2,13-14H2,1H3/t17-/m0/s1
InChIKeyNFKZBJCLARERFP-KRWDZBQOSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-1-phenylbutan-2-amine
CID 82707148
1-phenyl-N-(2,2,2-trifluoroethoxy)butan-2-amine
CID 82711434
N-(cyclobutylmethyl)-1-phenylbutan-2-amine
CID 79007195
1-[4-(2-methylpropyl)phenyl]-N-phenylmethoxyethanamine
CID 82712557
1-(furan-2-yl)-N-phenylmethoxypropan-1-amine
CID 82709043
1-cyclobutyl-N-phenylmethoxypropan-1-amine
CID 130679166
(2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine
CID 97357815
methyl N-[(2S)-1-phenylbutan-2-yl]carbamate
CID 118461048
N-(2,2-dimethoxyethyl)-1-phenylbutan-2-amine
CID 79007730
N-phenylmethoxyheptan-2-amine
CID 82709260
N-(2,2-diethoxyethyl)-1-phenylbutan-2-amine
CID 79547344
N-[(2R)-1-phenylbutan-2-yl]acetamide
CID 778652

Frequently Asked Questions

What is the IUPAC name of (2S)-1-phenyl-N-phenylmethoxybutan-2-amine?
The IUPAC name of (2S)-1-phenyl-N-phenylmethoxybutan-2-amine (CID 124575121) is (2S)-1-phenyl-N-phenylmethoxybutan-2-amine.
What is the SMILES notation for (2S)-1-phenyl-N-phenylmethoxybutan-2-amine?
The canonical SMILES for (2S)-1-phenyl-N-phenylmethoxybutan-2-amine is CC[C@@H](Cc1ccccc1)NOCc1ccccc1.
What is the InChIKey of (2S)-1-phenyl-N-phenylmethoxybutan-2-amine?
The InChIKey is NFKZBJCLARERFP-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-17(13-15-9-5-3-6-10-15)18-19-14-16-11-7-4-8-12-16/h3-12,17-18H,2,13-14H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-1-phenyl-N-phenylmethoxybutan-2-amine?
(2S)-1-phenyl-N-phenylmethoxybutan-2-amine has a molecular weight of 255.36 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-phenyl-N-phenylmethoxybutan-2-amine is sourced from PubChem (CID 124575121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).