(2-butan-2-yl-6-methylphenyl)methanamine;ethane

C14H25N — CID 143860612

IUPAC(2-butan-2-yl-6-methylphenyl)methanamine;ethane
SMILESCC.CCC(C)c1cccc(C)c1CN
InChIInChI=1S/C12H19N.C2H6/c1-4-9(2)11-7-5-6-10(3)12(11)8-13;1-2/h5-7,9H,4,8,13H2,1-3H3;1-2H3
InChIKeyDDYXGDLSTGDYLG-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.99
Rot. Bonds3

About (2-butan-2-yl-6-methylphenyl)methanamine;ethane

(2-butan-2-yl-6-methylphenyl)methanamine;ethane (PubChem CID 143860612) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (2-butan-2-yl-6-methylphenyl)methanamine;ethane.

Molecular Properties

Compound Name(2-butan-2-yl-6-methylphenyl)methanamine;ethane
PubChem CID143860612
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(2-butan-2-yl-6-methylphenyl)methanamine;ethane
SMILESCC.CCC(C)c1cccc(C)c1CN
InChIInChI=1S/C12H19N.C2H6/c1-4-9(2)11-7-5-6-10(3)12(11)8-13;1-2/h5-7,9H,4,8,13H2,1-3H3;1-2H3
InChIKeyDDYXGDLSTGDYLG-UHFFFAOYSA-N
XLogP3.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2-butan-2-yl-6-methylphenyl)methanamine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-amino-6-butan-2-ylphenyl)methyl]-3-butan-2-ylaniline
CID 18175359
2-butan-2-yl-6-methyl-N,N-diphenylaniline
CID 139836206
1-(2-iodo-3-methylphenyl)propan-1-amine
CID 103846034
1-(2-ethyl-3-methylphenyl)propan-1-amine
CID 55283477
1-butan-2-yl-2-propan-2-ylbenzene;ethane
CID 143715642
benzene;2,3-di(butan-2-yl)phenol
CID 67178643
2-ethyl-1-methyl-3-(1-methylsulfanylethyl)benzene
CID 143754852
2-(aminomethyl)-3-methylphenol;dihydrochloride
CID 23210549
1-methyl-3-[1-(3-methyl-2-propylphenyl)ethyl]-2-propylbenzene
CID 54553912
1-[(2R)-butan-2-yl]-3-fluoro-2-methylbenzene
CID 139403065
[3-(2-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61097824
2-methyl-1-(5-methylnaphthalen-1-yl)butan-1-amine
CID 139609928

Frequently Asked Questions

What is the IUPAC name of (2-butan-2-yl-6-methylphenyl)methanamine;ethane?
The IUPAC name of (2-butan-2-yl-6-methylphenyl)methanamine;ethane (CID 143860612) is (2-butan-2-yl-6-methylphenyl)methanamine;ethane.
What is the SMILES notation for (2-butan-2-yl-6-methylphenyl)methanamine;ethane?
The canonical SMILES for (2-butan-2-yl-6-methylphenyl)methanamine;ethane is CC.CCC(C)c1cccc(C)c1CN.
What is the InChIKey of (2-butan-2-yl-6-methylphenyl)methanamine;ethane?
The InChIKey is DDYXGDLSTGDYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N.C2H6/c1-4-9(2)11-7-5-6-10(3)12(11)8-13;1-2/h5-7,9H,4,8,13H2,1-3H3;1-2H3.
What are the key properties of (2-butan-2-yl-6-methylphenyl)methanamine;ethane?
(2-butan-2-yl-6-methylphenyl)methanamine;ethane has a molecular weight of 207.36 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butan-2-yl-6-methylphenyl)methanamine;ethane is sourced from PubChem (CID 143860612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).