2-[(1R)-1-aminoethyl]-N-methyl-N-propylaniline

C12H20N2 — CID 78936089

IUPAC2-[(1R)-1-aminoethyl]-N-methyl-N-propylaniline
SMILESCCCN(C)c1ccccc1[C@@H](C)N
InChIInChI=1S/C12H20N2/c1-4-9-14(3)12-8-6-5-7-11(12)10(2)13/h5-8,10H,4,9,13H2,1-3H3/t10-/m1/s1
InChIKeyAANKVULROQMLJL-SNVBAGLBSA-N
MW192.31 g/mol
LogP2.55
Rot. Bonds4

About 2-[(1R)-1-aminoethyl]-N-methyl-N-propylaniline

2-[(1R)-1-aminoethyl]-N-methyl-N-propylaniline (PubChem CID 78936089) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-[(1R)-1-aminoethyl]-N-methyl-N-propylaniline.

Molecular Properties

Compound Name2-[(1R)-1-aminoethyl]-N-methyl-N-propylaniline
PubChem CID78936089
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-[(1R)-1-aminoethyl]-N-methyl-N-propylaniline
SMILESCCCN(C)c1ccccc1[C@@H](C)N
InChIInChI=1S/C12H20N2/c1-4-9-14(3)12-8-6-5-7-11(12)10(2)13/h5-8,10H,4,9,13H2,1-3H3/t10-/m1/s1
InChIKeyAANKVULROQMLJL-SNVBAGLBSA-N
XLogP2.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(1R)-1-aminoethyl]-N-methyl-N-propylaniline 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

N'-[2-(1-aminoethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63694909
2-(1-aminoethyl)-N-propan-2-yl-N-propylaniline
CID 43269689
2-[(1R)-1-aminoethyl]-N-methyl-N-(2-phenylethyl)aniline
CID 79009081
N'-[2-[(1S)-1-aminoethyl]phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 78935470
2-(1-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 81055890
3-[2-(1-aminoethyl)-N-methylanilino]propanenitrile
CID 43188866
2-(1-aminoethyl)-N-methyl-N-(2-methylbutyl)aniline
CID 43295960
2-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylaniline
CID 78935486
1-[2-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 78935252
1-[2-[(1S)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 63368989
2-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 43188910
2-[(1S)-1-aminoethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 79476383

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoethyl]-N-methyl-N-propylaniline?
The IUPAC name of 2-[(1R)-1-aminoethyl]-N-methyl-N-propylaniline (CID 78936089) is 2-[(1R)-1-aminoethyl]-N-methyl-N-propylaniline.
What is the SMILES notation for 2-[(1R)-1-aminoethyl]-N-methyl-N-propylaniline?
The canonical SMILES for 2-[(1R)-1-aminoethyl]-N-methyl-N-propylaniline is CCCN(C)c1ccccc1[C@@H](C)N.
What is the InChIKey of 2-[(1R)-1-aminoethyl]-N-methyl-N-propylaniline?
The InChIKey is AANKVULROQMLJL-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-9-14(3)12-8-6-5-7-11(12)10(2)13/h5-8,10H,4,9,13H2,1-3H3/t10-/m1/s1.
What are the key properties of 2-[(1R)-1-aminoethyl]-N-methyl-N-propylaniline?
2-[(1R)-1-aminoethyl]-N-methyl-N-propylaniline has a molecular weight of 192.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoethyl]-N-methyl-N-propylaniline is sourced from PubChem (CID 78936089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).