(2-butyl-6-methylphenyl)methanamine

C12H19N — CID 163670855

IUPAC(2-butyl-6-methylphenyl)methanamine
SMILESCCCCc1cccc(C)c1CN
InChIInChI=1S/C12H19N/c1-3-4-7-11-8-5-6-10(2)12(11)9-13/h5-6,8H,3-4,7,9,13H2,1-2H3
InChIKeyJCJZABPVHSXDGU-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.80
Rot. Bonds4

About (2-butyl-6-methylphenyl)methanamine

(2-butyl-6-methylphenyl)methanamine (PubChem CID 163670855) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (2-butyl-6-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-butyl-6-methylphenyl)methanamine
PubChem CID163670855
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(2-butyl-6-methylphenyl)methanamine
SMILESCCCCc1cccc(C)c1CN
InChIInChI=1S/C12H19N/c1-3-4-7-11-8-5-6-10(2)12(11)9-13/h5-6,8H,3-4,7,9,13H2,1-2H3
InChIKeyJCJZABPVHSXDGU-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dihexyl-3-methylbenzene
CID 15920121
1,2,3-tributylbenzene;hydrate
CID 172716323
2-butyl-1,3-di(tetracosyl)benzene
CID 91602515
1,2-dibutyl-3-dodecylbenzene
CID 91050964
(2-butyl-6-ethenylphenyl)methanamine
CID 70520370
1,3-dibutyl-2-ethylbenzene
CID 22713046
[2-(aminomethyl)-3-methylphenyl]methanol
CID 135377044
(2,3-dibutylphenyl)phosphane
CID 19901991
1,2,3-tri(icosyl)benzene
CID 90987509
1-dodecyl-2-octyl-3-tridecylbenzene
CID 175505104
2-butyl-1-octyl-3-propylbenzene
CID 141216645
(2,3-dihexyl-6-nonylphenyl)methanamine
CID 161402444

Frequently Asked Questions

What is the IUPAC name of (2-butyl-6-methylphenyl)methanamine?
The IUPAC name of (2-butyl-6-methylphenyl)methanamine (CID 163670855) is (2-butyl-6-methylphenyl)methanamine.
What is the SMILES notation for (2-butyl-6-methylphenyl)methanamine?
The canonical SMILES for (2-butyl-6-methylphenyl)methanamine is CCCCc1cccc(C)c1CN.
What is the InChIKey of (2-butyl-6-methylphenyl)methanamine?
The InChIKey is JCJZABPVHSXDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-3-4-7-11-8-5-6-10(2)12(11)9-13/h5-6,8H,3-4,7,9,13H2,1-2H3.
What are the key properties of (2-butyl-6-methylphenyl)methanamine?
(2-butyl-6-methylphenyl)methanamine has a molecular weight of 177.29 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butyl-6-methylphenyl)methanamine is sourced from PubChem (CID 163670855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).