N-[2-(2-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethyl]propan-1-amine

C19H32N2 — CID 63468845

IUPACN-[2-(2-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CN1CCCC1C)c1ccc(CCC)cc1
InChIInChI=1S/C19H32N2/c1-4-7-17-9-11-18(12-10-17)19(20-13-5-2)15-21-14-6-8-16(21)3/h9-12,16,19-20H,4-8,13-15H2,1-3H3
InChIKeyYATUEKNGINOFCW-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.16
Rot. Bonds8

About N-[2-(2-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethyl]propan-1-amine

N-[2-(2-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethyl]propan-1-amine (PubChem CID 63468845) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[2-(2-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethyl]propan-1-amine
PubChem CID63468845
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[2-(2-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CN1CCCC1C)c1ccc(CCC)cc1
InChIInChI=1S/C19H32N2/c1-4-7-17-9-11-18(12-10-17)19(20-13-5-2)15-21-14-6-8-16(21)3/h9-12,16,19-20H,4-8,13-15H2,1-3H3
InChIKeyYATUEKNGINOFCW-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-cyclopentyloxy-1-(4-propylphenyl)ethyl]propan-1-amine
CID 63473597
N-[2-cyclopentylsulfanyl-1-(4-propylphenyl)ethyl]propan-1-amine
CID 64628015
N-ethyl-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine
CID 105346402
N-methyl-2-(4-methylazepan-1-yl)-1-(4-propylphenyl)ethanamine
CID 63623524
2-(2,4-dimethylpiperidin-1-yl)-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 63469493
N-ethyl-1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62613985
3-(oxolan-2-yl)-N-propyl-1-(4-propylphenyl)propan-1-amine
CID 65156384
N-[2-(azepan-1-yl)-1-(4-ethylphenyl)ethyl]propan-1-amine
CID 63466733
N-[1-(4-butylphenyl)-2-cyclobutylethyl]propan-1-amine
CID 103162968
N-[2-(oxetan-3-ylsulfanyl)-1-(4-propylphenyl)ethyl]propan-1-amine
CID 79333233
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-propylphenyl)ethanamine
CID 83219356
N-ethyl-1-(2-methylpyrrolidin-1-yl)pentan-2-amine
CID 62042499

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethyl]propan-1-amine (CID 63468845) is N-[2-(2-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethyl]propan-1-amine is CCCNC(CN1CCCC1C)c1ccc(CCC)cc1.
What is the InChIKey of N-[2-(2-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethyl]propan-1-amine?
The InChIKey is YATUEKNGINOFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-7-17-9-11-18(12-10-17)19(20-13-5-2)15-21-14-6-8-16(21)3/h9-12,16,19-20H,4-8,13-15H2,1-3H3.
What are the key properties of N-[2-(2-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethyl]propan-1-amine?
N-[2-(2-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethyl]propan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63468845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).