2,3-dimethyl-4-(2-methylphenyl)-N-(2-methylpropyl)butan-1-amine

C17H29N — CID 81017881

IUPAC2,3-dimethyl-4-(2-methylphenyl)-N-(2-methylpropyl)butan-1-amine
SMILESCc1ccccc1CC(C)C(C)CNCC(C)C
InChIInChI=1S/C17H29N/c1-13(2)11-18-12-16(5)15(4)10-17-9-7-6-8-14(17)3/h6-9,13,15-16,18H,10-12H2,1-5H3
InChIKeySHBDUFWPNCKAQX-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.06
Rot. Bonds7

About 2,3-dimethyl-4-(2-methylphenyl)-N-(2-methylpropyl)butan-1-amine

2,3-dimethyl-4-(2-methylphenyl)-N-(2-methylpropyl)butan-1-amine (PubChem CID 81017881) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 2,3-dimethyl-4-(2-methylphenyl)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-4-(2-methylphenyl)-N-(2-methylpropyl)butan-1-amine
PubChem CID81017881
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name2,3-dimethyl-4-(2-methylphenyl)-N-(2-methylpropyl)butan-1-amine
SMILESCc1ccccc1CC(C)C(C)CNCC(C)C
InChIInChI=1S/C17H29N/c1-13(2)11-18-12-16(5)15(4)10-17-9-7-6-8-14(17)3/h6-9,13,15-16,18H,10-12H2,1-5H3
InChIKeySHBDUFWPNCKAQX-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,3-dimethyl-4-(2-methylphenyl)-N-(2-methylpropyl)butan-1-amine 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

4-methyl-2-[(2-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 63498334
2-benzyl-3-(2-methylphenyl)-N-(2-methylpropyl)propan-1-amine
CID 63496197
methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493
2-[(2-methylphenyl)methyl]-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine
CID 62550727
3-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 62529551
N-[3-methyl-4-(2-methylphenyl)butan-2-yl]aniline
CID 58933204
N-ethyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine
CID 62528305
N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-(2-methylpropyl)ethane-1,2-diamine
CID 113409285
N,6-dimethyl-1-(2-methylphenyl)heptan-2-amine
CID 83161242
2-[(2-fluorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62530350
N-ethyl-3-methyl-1-(2-methylphenyl)butan-2-amine
CID 60818877
N-(2-methoxyethyl)-3-methyl-2-[(2-methylphenyl)methyl]butan-1-amine
CID 62718997

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-(2-methylphenyl)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2,3-dimethyl-4-(2-methylphenyl)-N-(2-methylpropyl)butan-1-amine (CID 81017881) is 2,3-dimethyl-4-(2-methylphenyl)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2,3-dimethyl-4-(2-methylphenyl)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2,3-dimethyl-4-(2-methylphenyl)-N-(2-methylpropyl)butan-1-amine is Cc1ccccc1CC(C)C(C)CNCC(C)C.
What is the InChIKey of 2,3-dimethyl-4-(2-methylphenyl)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is SHBDUFWPNCKAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-13(2)11-18-12-16(5)15(4)10-17-9-7-6-8-14(17)3/h6-9,13,15-16,18H,10-12H2,1-5H3.
What are the key properties of 2,3-dimethyl-4-(2-methylphenyl)-N-(2-methylpropyl)butan-1-amine?
2,3-dimethyl-4-(2-methylphenyl)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-(2-methylphenyl)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 81017881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).