1-(4-methoxyphenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine

C18H30N2O — CID 61208115

IUPAC1-(4-methoxyphenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
SMILESCCC(NCC1CCN(C(C)C)C1)c1ccc(OC)cc1
InChIInChI=1S/C18H30N2O/c1-5-18(16-6-8-17(21-4)9-7-16)19-12-15-10-11-20(13-15)14(2)3/h6-9,14-15,18-19H,5,10-13H2,1-4H3
InChIKeyLRJGUUAQIBJJGO-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.47
Rot. Bonds7

About 1-(4-methoxyphenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine

1-(4-methoxyphenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine (PubChem CID 61208115) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
PubChem CID61208115
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-(4-methoxyphenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
SMILESCCC(NCC1CCN(C(C)C)C1)c1ccc(OC)cc1
InChIInChI=1S/C18H30N2O/c1-5-18(16-6-8-17(21-4)9-7-16)19-12-15-10-11-20(13-15)14(2)3/h6-9,14-15,18-19H,5,10-13H2,1-4H3
InChIKeyLRJGUUAQIBJJGO-UHFFFAOYSA-N
XLogP3.47
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methoxyphenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]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-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 61206975
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine
CID 60855495
N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43190722
1-(3-bromo-4-methoxyphenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 61207365
1-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 61209100
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pentan-3-amine
CID 61208503
1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 63251056
N-[[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80550847
1-(3,4-dichlorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 61207358
1-(3,4-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 61207729
1-cyclopropyl-1-(4-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 60857089
4-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol
CID 60857322

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine (CID 61208115) is 1-(4-methoxyphenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine is CCC(NCC1CCN(C(C)C)C1)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine?
The InChIKey is LRJGUUAQIBJJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-18(16-6-8-17(21-4)9-7-16)19-12-15-10-11-20(13-15)14(2)3/h6-9,14-15,18-19H,5,10-13H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine?
1-(4-methoxyphenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 61208115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).