N-ethyl-1-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine

C17H28N2 — CID 106603520

IUPACN-ethyl-1-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCC(c1ccc(C)cc1)N(CC)CC1CCCN1
InChIInChI=1S/C17H28N2/c1-4-17(15-10-8-14(3)9-11-15)19(5-2)13-16-7-6-12-18-16/h8-11,16-18H,4-7,12-13H2,1-3H3
InChIKeyQYVBEIJVBQPWSG-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.52
Rot. Bonds6

About N-ethyl-1-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine

N-ethyl-1-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine (PubChem CID 106603520) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-ethyl-1-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
PubChem CID106603520
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-ethyl-1-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCC(c1ccc(C)cc1)N(CC)CC1CCCN1
InChIInChI=1S/C17H28N2/c1-4-17(15-10-8-14(3)9-11-15)19(5-2)13-16-7-6-12-18-16/h8-11,16-18H,4-7,12-13H2,1-3H3
InChIKeyQYVBEIJVBQPWSG-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-1-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propan-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

1-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604524
1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine
CID 106623207
1-(3-chlorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106622440
N-ethyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 43274680
N-ethyl-N-(piperidin-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 106622507
1-(4-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106602815
N-[1-(4-methylphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106598998
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
N-[1-(4-methoxyphenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599038
N-ethyl-1-(4-nitrophenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603598
N,N-bis[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86331312
1-cyclobutyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603623

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-ethyl-1-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine (CID 106603520) is N-ethyl-1-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine is CCC(c1ccc(C)cc1)N(CC)CC1CCCN1.
What is the InChIKey of N-ethyl-1-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The InChIKey is QYVBEIJVBQPWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-17(15-10-8-14(3)9-11-15)19(5-2)13-16-7-6-12-18-16/h8-11,16-18H,4-7,12-13H2,1-3H3.
What are the key properties of N-ethyl-1-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
N-ethyl-1-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106603520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).