4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine

C19H25N — CID 63420838

IUPAC4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine
SMILESCc1ccc(CNC(C)CCc2cccc(C)c2)cc1
InChIInChI=1S/C19H25N/c1-15-7-10-19(11-8-15)14-20-17(3)9-12-18-6-4-5-16(2)13-18/h4-8,10-11,13,17,20H,9,12,14H2,1-3H3
InChIKeyHSARHMHEZPNLIP-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.41
Rot. Bonds6

About 4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine

4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine (PubChem CID 63420838) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine.

Molecular Properties

Compound Name4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine
PubChem CID63420838
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine
SMILESCc1ccc(CNC(C)CCc2cccc(C)c2)cc1
InChIInChI=1S/C19H25N/c1-15-7-10-19(11-8-15)14-20-17(3)9-12-18-6-4-5-16(2)13-18/h4-8,10-11,13,17,20H,9,12,14H2,1-3H3
InChIKeyHSARHMHEZPNLIP-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329
N-[(3,4-difluorophenyl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 63455010
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
N-[(2-ethylphenyl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 64680088
N-(furan-3-ylmethyl)-4-(3-methylphenyl)butan-2-amine
CID 115711448
4-(3-methylphenyl)-N-(pyridin-2-ylmethyl)butan-2-amine
CID 61171888
4-(3-methylphenyl)-N-(thiophen-2-ylmethyl)butan-2-amine
CID 61169939
1-[3,4-dimethyl-6-(3-methylphenyl)hexyl]-4-methylbenzene
CID 155693186
3-[(3-methylphenyl)methylamino]butan-1-ol
CID 78997783
4-[3-[(4-methylphenyl)methylamino]butyl]phenol
CID 43196100
4-(3-methylphenyl)-N-(2-methylprop-2-enyl)butan-2-amine
CID 114615744
4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine
CID 63420680

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine?
The IUPAC name of 4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine (CID 63420838) is 4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine.
What is the SMILES notation for 4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine?
The canonical SMILES for 4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine is Cc1ccc(CNC(C)CCc2cccc(C)c2)cc1.
What is the InChIKey of 4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine?
The InChIKey is HSARHMHEZPNLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-15-7-10-19(11-8-15)14-20-17(3)9-12-18-6-4-5-16(2)13-18/h4-8,10-11,13,17,20H,9,12,14H2,1-3H3.
What are the key properties of 4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine?
4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine has a molecular weight of 267.42 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine is sourced from PubChem (CID 63420838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).