2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine

C19H32N2 — CID 62993891

IUPAC2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESCC(CNC(C)c1ccc(C(C)C)cc1)CN1CCCC1
InChIInChI=1S/C19H32N2/c1-15(2)18-7-9-19(10-8-18)17(4)20-13-16(3)14-21-11-5-6-12-21/h7-10,15-17,20H,5-6,11-14H2,1-4H3
InChIKeyUDNBCBUOGBTUOA-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.19
Rot. Bonds7

About 2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine

2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 62993891) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID62993891
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESCC(CNC(C)c1ccc(C(C)C)cc1)CN1CCCC1
InChIInChI=1S/C19H32N2/c1-15(2)18-7-9-19(10-8-18)17(4)20-13-16(3)14-21-11-5-6-12-21/h7-10,15-17,20H,5-6,11-14H2,1-4H3
InChIKeyUDNBCBUOGBTUOA-UHFFFAOYSA-N
XLogP4.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrrolidin-1-ylpropan-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

N-[1-(3-chlorophenyl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 61019279
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 54906711
1-[1-(4-bromophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 60729373
1-(1-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60729010
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 62993549
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 82773345
2-methyl-3-pyrrolidin-1-yl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine
CID 64830975
1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethanamine
CID 16643528
N-[1-(2-bromo-4-fluorophenyl)ethyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 103777846
2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 102612483
1-[2-fluoro-2-(4-propan-2-ylphenyl)ethyl]piperidine;hydrochloride
CID 131865136
4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine
CID 62990067

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine (CID 62993891) is 2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine is CC(CNC(C)c1ccc(C(C)C)cc1)CN1CCCC1.
What is the InChIKey of 2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is UDNBCBUOGBTUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-15(2)18-7-9-19(10-8-18)17(4)20-13-16(3)14-21-11-5-6-12-21/h7-10,15-17,20H,5-6,11-14H2,1-4H3.
What are the key properties of 2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine?
2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 62993891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).