N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine

C25H29NO — CID 17156456

IUPACN-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
SMILESCCCC(NCc1ccccc1OCc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C25H29NO/c1-3-9-24(22-10-5-4-6-11-22)26-18-23-12-7-8-13-25(23)27-19-21-16-14-20(2)15-17-21/h4-8,10-17,24,26H,3,9,18-19H2,1-2H3
InChIKeyXHKUZIRBOUKOMV-UHFFFAOYSA-N
MW359.51 g/mol
LogP6.21
Rot. Bonds9

About N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine

N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine (PubChem CID 17156456) has the molecular formula C25H29NO and a molecular weight of 359.51 g/mol. Its IUPAC name is N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
PubChem CID17156456
Molecular FormulaC25H29NO
Molecular Weight359.51 g/mol
Exact Mass359.22
IUPAC NameN-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
SMILESCCCC(NCc1ccccc1OCc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C25H29NO/c1-3-9-24(22-10-5-4-6-11-22)26-18-23-12-7-8-13-25(23)27-19-21-16-14-20(2)15-17-21/h4-8,10-17,24,26H,3,9,18-19H2,1-2H3
InChIKeyXHKUZIRBOUKOMV-UHFFFAOYSA-N
XLogP6.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 17054239
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17155781
N-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156511
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17155780
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1-phenylbutan-1-amine
CID 17156408
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylbutan-1-amine
CID 17155694
(1R)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 29186359
(1S)-1-phenyl-N-[(2-phenylmethoxyphenyl)methyl]ethanamine
CID 40761616
2-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]-4-methylsulfanylbutanoic acid
CID 66527996
N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17156142
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156022
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine;hydrochloride
CID 17054240

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine?
The IUPAC name of N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine (CID 17156456) is N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine.
What is the SMILES notation for N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine?
The canonical SMILES for N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine is CCCC(NCc1ccccc1OCc1ccc(C)cc1)c1ccccc1.
What is the InChIKey of N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine?
The InChIKey is XHKUZIRBOUKOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO/c1-3-9-24(22-10-5-4-6-11-22)26-18-23-12-7-8-13-25(23)27-19-21-16-14-20(2)15-17-21/h4-8,10-17,24,26H,3,9,18-19H2,1-2H3.
What are the key properties of N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine?
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine has a molecular weight of 359.51 g/mol, XLogP of 6.21, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 17156456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).