4-(2-methoxyphenyl)-2-phenylbutan-1-amine

C17H21NO — CID 81010261

IUPAC4-(2-methoxyphenyl)-2-phenylbutan-1-amine
SMILESCOc1ccccc1CCC(CN)c1ccccc1
InChIInChI=1S/C17H21NO/c1-19-17-10-6-5-9-15(17)11-12-16(13-18)14-7-3-2-4-8-14/h2-10,16H,11-13,18H2,1H3
InChIKeyBOVGCRWZFIDTRM-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.37
Rot. Bonds6

About 4-(2-methoxyphenyl)-2-phenylbutan-1-amine

4-(2-methoxyphenyl)-2-phenylbutan-1-amine (PubChem CID 81010261) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-2-phenylbutan-1-amine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-2-phenylbutan-1-amine
PubChem CID81010261
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name4-(2-methoxyphenyl)-2-phenylbutan-1-amine
SMILESCOc1ccccc1CCC(CN)c1ccccc1
InChIInChI=1S/C17H21NO/c1-19-17-10-6-5-9-15(17)11-12-16(13-18)14-7-3-2-4-8-14/h2-10,16H,11-13,18H2,1H3
InChIKeyBOVGCRWZFIDTRM-UHFFFAOYSA-N
XLogP3.37
TPSA35.25 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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2,4-diphenylbutan-1-amine
CID 10998696
3-(2-fluoro-3-methoxyphenyl)-2-phenylpropan-1-amine
CID 82812600
4-naphthalen-1-yl-2-phenylbutan-1-amine
CID 81011301
4-(2-methoxyphenyl)-1-phenylbutan-1-ol
CID 64513742
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
(2S,4R)-2-ethyl-6-(2-methoxyphenyl)-4-methylhexan-1-amine
CID 150211200
1-methoxy-2-[(3R)-3-methylpentyl]benzene
CID 142086575
1-methoxy-2-(2-phenylsulfanylethyl)benzene
CID 101404831
2-phenylpentan-1-amine
CID 14321247
2-(3-bromophenyl)-3-(2-methoxyphenyl)propan-1-amine
CID 79443596
2-phenylbutane-1,4-diamine
CID 16770348
2-(3-ethyl-4-methoxyphenyl)-5-phenylpentan-1-amine
CID 82138520

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-2-phenylbutan-1-amine?
The IUPAC name of 4-(2-methoxyphenyl)-2-phenylbutan-1-amine (CID 81010261) is 4-(2-methoxyphenyl)-2-phenylbutan-1-amine.
What is the SMILES notation for 4-(2-methoxyphenyl)-2-phenylbutan-1-amine?
The canonical SMILES for 4-(2-methoxyphenyl)-2-phenylbutan-1-amine is COc1ccccc1CCC(CN)c1ccccc1.
What is the InChIKey of 4-(2-methoxyphenyl)-2-phenylbutan-1-amine?
The InChIKey is BOVGCRWZFIDTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-19-17-10-6-5-9-15(17)11-12-16(13-18)14-7-3-2-4-8-14/h2-10,16H,11-13,18H2,1H3.
What are the key properties of 4-(2-methoxyphenyl)-2-phenylbutan-1-amine?
4-(2-methoxyphenyl)-2-phenylbutan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-2-phenylbutan-1-amine is sourced from PubChem (CID 81010261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).