4-methoxy-N-[(4-phenylphenyl)methyl]butan-2-amine

C18H23NO — CID 62734283

IUPAC4-methoxy-N-[(4-phenylphenyl)methyl]butan-2-amine
SMILESCOCCC(C)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H23NO/c1-15(12-13-20-2)19-14-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,15,19H,12-14H2,1-2H3
InChIKeyGZBMAQJDNLLLNM-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.87
Rot. Bonds7

About 4-methoxy-N-[(4-phenylphenyl)methyl]butan-2-amine

4-methoxy-N-[(4-phenylphenyl)methyl]butan-2-amine (PubChem CID 62734283) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-methoxy-N-[(4-phenylphenyl)methyl]butan-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[(4-phenylphenyl)methyl]butan-2-amine
PubChem CID62734283
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-methoxy-N-[(4-phenylphenyl)methyl]butan-2-amine
SMILESCOCCC(C)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H23NO/c1-15(12-13-20-2)19-14-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,15,19H,12-14H2,1-2H3
InChIKeyGZBMAQJDNLLLNM-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-phenylphenyl)methylamino]butan-1-ol
CID 78998247
4-[(4-methoxybutan-2-ylamino)methyl]benzoic acid
CID 64605268
4-methoxy-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 62733175
N-[(4-phenylphenyl)methyl]pent-4-en-2-amine
CID 115633215
4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine
CID 62733351
1-(4-chlorophenyl)-N-[(4-phenylphenyl)methyl]propan-2-amine
CID 67641931
N-(2,2-diphenylethyl)-4-methoxybutan-2-amine
CID 103746904
N-[(6-chloro-3-pyridinyl)methyl]-4-methoxybutan-2-amine
CID 115683665
4-methoxy-N-(4-phenylbutyl)butan-2-amine
CID 115688342
4-methoxy-N-(quinolin-6-ylmethyl)butan-2-amine
CID 62733913
N-benzyl-5-methylhexan-2-amine
CID 43177530
N-[(2,6-difluorophenyl)methyl]-4-methoxybutan-2-amine
CID 64602570

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(4-phenylphenyl)methyl]butan-2-amine?
The IUPAC name of 4-methoxy-N-[(4-phenylphenyl)methyl]butan-2-amine (CID 62734283) is 4-methoxy-N-[(4-phenylphenyl)methyl]butan-2-amine.
What is the SMILES notation for 4-methoxy-N-[(4-phenylphenyl)methyl]butan-2-amine?
The canonical SMILES for 4-methoxy-N-[(4-phenylphenyl)methyl]butan-2-amine is COCCC(C)NCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-[(4-phenylphenyl)methyl]butan-2-amine?
The InChIKey is GZBMAQJDNLLLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-15(12-13-20-2)19-14-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,15,19H,12-14H2,1-2H3.
What are the key properties of 4-methoxy-N-[(4-phenylphenyl)methyl]butan-2-amine?
4-methoxy-N-[(4-phenylphenyl)methyl]butan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(4-phenylphenyl)methyl]butan-2-amine is sourced from PubChem (CID 62734283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).