4-phenyl-N-phenylmethoxybutan-2-amine

C17H21NO — CID 82709894

IUPAC4-phenyl-N-phenylmethoxybutan-2-amine
SMILESCC(CCc1ccccc1)NOCc1ccccc1
InChIInChI=1S/C17H21NO/c1-15(12-13-16-8-4-2-5-9-16)18-19-14-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3
InChIKeyFUWDLRNPEGOAQJ-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.73
Rot. Bonds7

About 4-phenyl-N-phenylmethoxybutan-2-amine

4-phenyl-N-phenylmethoxybutan-2-amine (PubChem CID 82709894) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-phenyl-N-phenylmethoxybutan-2-amine.

Molecular Properties

Compound Name4-phenyl-N-phenylmethoxybutan-2-amine
PubChem CID82709894
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name4-phenyl-N-phenylmethoxybutan-2-amine
SMILESCC(CCc1ccccc1)NOCc1ccccc1
InChIInChI=1S/C17H21NO/c1-15(12-13-16-8-4-2-5-9-16)18-19-14-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3
InChIKeyFUWDLRNPEGOAQJ-UHFFFAOYSA-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-phenylmethoxyheptan-2-amine
CID 82709260
benzyl 3-(phenylmethoxyamino)butanoate
CID 13184090
4-phenylbutan-2-ylhydrazine
CID 28622
(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
1-(phenylmethoxyamino)ethylphosphonous acid
CID 19880141
(4-phenylbutan-2-ylamino) thiohypofluorite
CID 138664614
3-methoxy-N-[(2S)-4-phenylbutan-2-yl]aniline
CID 29291478
methyl N-[(2S)-4-phenylbutan-2-yl]carbamate
CID 888027
ethene;3-methylbutylbenzene
CID 145421013
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
5-methyl-N-(2-phenylethyl)hexan-2-amine
CID 43178595
(2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine
CID 12814796

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-phenylmethoxybutan-2-amine?
The IUPAC name of 4-phenyl-N-phenylmethoxybutan-2-amine (CID 82709894) is 4-phenyl-N-phenylmethoxybutan-2-amine.
What is the SMILES notation for 4-phenyl-N-phenylmethoxybutan-2-amine?
The canonical SMILES for 4-phenyl-N-phenylmethoxybutan-2-amine is CC(CCc1ccccc1)NOCc1ccccc1.
What is the InChIKey of 4-phenyl-N-phenylmethoxybutan-2-amine?
The InChIKey is FUWDLRNPEGOAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-15(12-13-16-8-4-2-5-9-16)18-19-14-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3.
What are the key properties of 4-phenyl-N-phenylmethoxybutan-2-amine?
4-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 4-phenyl-N-phenylmethoxybutan-2-amine is sourced from PubChem (CID 82709894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).