2-[(dimethylamino)methyl]-N-pentan-2-ylaniline

C14H24N2 — CID 43750163

IUPAC2-[(dimethylamino)methyl]-N-pentan-2-ylaniline
SMILESCCCC(C)Nc1ccccc1CN(C)C
InChIInChI=1S/C14H24N2/c1-5-8-12(2)15-14-10-7-6-9-13(14)11-16(3)4/h6-7,9-10,12,15H,5,8,11H2,1-4H3
InChIKeyAQMRKRTWYDVHBV-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.35
Rot. Bonds6

About 2-[(dimethylamino)methyl]-N-pentan-2-ylaniline

2-[(dimethylamino)methyl]-N-pentan-2-ylaniline (PubChem CID 43750163) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-pentan-2-ylaniline.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-pentan-2-ylaniline
PubChem CID43750163
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-[(dimethylamino)methyl]-N-pentan-2-ylaniline
SMILESCCCC(C)Nc1ccccc1CN(C)C
InChIInChI=1S/C14H24N2/c1-5-8-12(2)15-14-10-7-6-9-13(14)11-16(3)4/h6-7,9-10,12,15H,5,8,11H2,1-4H3
InChIKeyAQMRKRTWYDVHBV-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(dimethylamino)methyl]-N-pentan-2-ylaniline 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-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline
CID 104583785
2-(diethylaminomethyl)-N-hexan-2-ylaniline
CID 43787790
tert-butyl N-ethyl-N-[[2-(pentan-2-ylamino)phenyl]methyl]carbamate
CID 107242570
2-amino-N-[2-[(dimethylamino)methyl]phenyl]pentanamide
CID 43695727
2-[2-[(dimethylamino)methyl]anilino]butanoic acid
CID 115353025
2-[(dimethylamino)methyl]-N-(1-pyridin-4-ylethyl)aniline
CID 43750176
[2-(heptan-2-ylamino)phenyl]methanol
CID 43743067
2-[(dimethylamino)methyl]-N-(1-pyridin-2-ylethyl)aniline
CID 43750131
2-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline
CID 62631645
2-[(dimethylamino)methyl]-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 43750190
N-[1-(4-bromophenyl)propyl]-2-[(dimethylamino)methyl]aniline
CID 43750075
2-[(dimethylamino)methyl]-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43750067

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-pentan-2-ylaniline?
The IUPAC name of 2-[(dimethylamino)methyl]-N-pentan-2-ylaniline (CID 43750163) is 2-[(dimethylamino)methyl]-N-pentan-2-ylaniline.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-pentan-2-ylaniline?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-pentan-2-ylaniline is CCCC(C)Nc1ccccc1CN(C)C.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-pentan-2-ylaniline?
The InChIKey is AQMRKRTWYDVHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-8-12(2)15-14-10-7-6-9-13(14)11-16(3)4/h6-7,9-10,12,15H,5,8,11H2,1-4H3.
What are the key properties of 2-[(dimethylamino)methyl]-N-pentan-2-ylaniline?
2-[(dimethylamino)methyl]-N-pentan-2-ylaniline has a molecular weight of 220.36 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-pentan-2-ylaniline is sourced from PubChem (CID 43750163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).