(4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanamine

C19H25N — CID 43108648

IUPAC(4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanamine
SMILESCCC(C)c1ccc(C(N)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H25N/c1-5-13(2)16-8-10-17(11-9-16)19(20)18-7-6-14(3)15(4)12-18/h6-13,19H,5,20H2,1-4H3
InChIKeyMTJIXYXWZGZSIN-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.87
Rot. Bonds4

About (4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanamine

(4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanamine (PubChem CID 43108648) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is (4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanamine
PubChem CID43108648
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name(4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanamine
SMILESCCC(C)c1ccc(C(N)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H25N/c1-5-13(2)16-8-10-17(11-9-16)19(20)18-7-6-14(3)15(4)12-18/h6-13,19H,5,20H2,1-4H3
InChIKeyMTJIXYXWZGZSIN-UHFFFAOYSA-N
XLogP4.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanol
CID 63426275
(4-bromophenyl)-(4-butan-2-ylphenyl)methanamine
CID 43096152
(1R)-1-(3,4-dimethylphenyl)-2-methylbutan-1-amine
CID 131078048
(4-butan-2-ylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43111676
(3,4-dimethylphenyl)-(3,5-dimethylphenyl)methanamine
CID 43149143
(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
CID 43198098
(1R)-1-(3,4-dimethylphenyl)ethanamine
CID 7022091
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
2-(3,4-dimethylphenyl)propan-1-amine
CID 43316823
1,4-di(butan-2-yl)-2-methylbenzene
CID 58616694
1-(4-butan-2-ylphenyl)-3-methylbutan-1-amine
CID 43097162
1,2-dimethyl-4-(3-methylpentan-2-yl)benzene
CID 54500357

Frequently Asked Questions

What is the IUPAC name of (4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanamine?
The IUPAC name of (4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanamine (CID 43108648) is (4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanamine.
What is the SMILES notation for (4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanamine?
The canonical SMILES for (4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanamine is CCC(C)c1ccc(C(N)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of (4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanamine?
The InChIKey is MTJIXYXWZGZSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-5-13(2)16-8-10-17(11-9-16)19(20)18-7-6-14(3)15(4)12-18/h6-13,19H,5,20H2,1-4H3.
What are the key properties of (4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanamine?
(4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanamine has a molecular weight of 267.42 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanamine is sourced from PubChem (CID 43108648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).