2-(3-methylphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine

C16H26N2 — CID 113416955

IUPAC2-(3-methylphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
SMILESCc1cccc(C(CN)N2CCC(C(C)C)C2)c1
InChIInChI=1S/C16H26N2/c1-12(2)15-7-8-18(11-15)16(10-17)14-6-4-5-13(3)9-14/h4-6,9,12,15-16H,7-8,10-11,17H2,1-3H3
InChIKeyIHZYVCARRDKXJB-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.97
Rot. Bonds4

About 2-(3-methylphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine

2-(3-methylphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine (PubChem CID 113416955) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-(3-methylphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methylphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
PubChem CID113416955
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-(3-methylphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
SMILESCc1cccc(C(CN)N2CCC(C(C)C)C2)c1
InChIInChI=1S/C16H26N2/c1-12(2)15-7-8-18(11-15)16(10-17)14-6-4-5-13(3)9-14/h4-6,9,12,15-16H,7-8,10-11,17H2,1-3H3
InChIKeyIHZYVCARRDKXJB-UHFFFAOYSA-N
XLogP2.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-methylphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine 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

1-[2-amino-1-(3-methylphenyl)ethyl]-3-methylpiperidin-4-ol
CID 114677976
(2S)-2-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489665
2-(3-fluorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103494730
2-(3-ethylpiperidin-1-yl)-2-(3-methylphenyl)ethanamine
CID 43584386
2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-methylphenyl)ethanamine
CID 63605560
1-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-3-yl]ethanol
CID 112624625
2-(2-ethylmorpholin-4-yl)-2-(3-methylphenyl)ethanamine
CID 43562475
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(3-methylphenyl)ethanamine
CID 61440628
1-[2-amino-1-(3-methylphenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103194646
2-(2,4-dimethylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103494712
tert-butyl N-[(3R)-1-[(1S)-2-amino-1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]carbamate
CID 30734721
tert-butyl N-[1-[2-amino-1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]carbamate
CID 44890970

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(3-methylphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine (CID 113416955) is 2-(3-methylphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-methylphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-methylphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine is Cc1cccc(C(CN)N2CCC(C(C)C)C2)c1.
What is the InChIKey of 2-(3-methylphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine?
The InChIKey is IHZYVCARRDKXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12(2)15-7-8-18(11-15)16(10-17)14-6-4-5-13(3)9-14/h4-6,9,12,15-16H,7-8,10-11,17H2,1-3H3.
What are the key properties of 2-(3-methylphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine?
2-(3-methylphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine has a molecular weight of 246.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 113416955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).