4-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]butan-2-amine

C19H25NO — CID 60913277

IUPAC4-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]butan-2-amine
SMILESCOc1ccc(CCC(C)NCc2ccccc2C)cc1
InChIInChI=1S/C19H25NO/c1-15-6-4-5-7-18(15)14-20-16(2)8-9-17-10-12-19(21-3)13-11-17/h4-7,10-13,16,20H,8-9,14H2,1-3H3
InChIKeyYZIVQQCYOLMRSZ-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.11
Rot. Bonds7

About 4-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]butan-2-amine

4-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]butan-2-amine (PubChem CID 60913277) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]butan-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]butan-2-amine
PubChem CID60913277
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name4-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]butan-2-amine
SMILESCOc1ccc(CCC(C)NCc2ccccc2C)cc1
InChIInChI=1S/C19H25NO/c1-15-6-4-5-7-18(15)14-20-16(2)8-9-17-10-12-19(21-3)13-11-17/h4-7,10-13,16,20H,8-9,14H2,1-3H3
InChIKeyYZIVQQCYOLMRSZ-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
N-[(2-fluoro-4-methoxyphenyl)methyl]-4-phenylbutan-2-amine
CID 103757279
(2R)-1-methoxy-N-[(2-methylphenyl)methyl]propan-2-amine
CID 791949
(2S)-N-[(3,4-dichlorophenyl)methyl]-4-(4-methoxyphenyl)butan-2-amine
CID 784034
4-(4-methoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine
CID 61013750
N-[(2,5-dimethylphenyl)methyl]-4-phenylbutan-2-amine
CID 60657519
4-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine
CID 103786270
N-[4-(4-methoxyphenyl)butan-2-yl]-2,5-dimethylpyrrol-1-amine
CID 79090719
4-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)butan-2-amine
CID 115732215
4-(4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)butan-2-amine
CID 106414728
(2S)-4-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 30982638
N-(4-methoxybutan-2-yl)-4-(4-methoxyphenyl)butan-2-amine
CID 64600673

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]butan-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]butan-2-amine (CID 60913277) is 4-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]butan-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]butan-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]butan-2-amine is COc1ccc(CCC(C)NCc2ccccc2C)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]butan-2-amine?
The InChIKey is YZIVQQCYOLMRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-15-6-4-5-7-18(15)14-20-16(2)8-9-17-10-12-19(21-3)13-11-17/h4-7,10-13,16,20H,8-9,14H2,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]butan-2-amine?
4-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]butan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]butan-2-amine is sourced from PubChem (CID 60913277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).