N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylbutan-2-amine

C18H30N2 — CID 79008482

IUPACN-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylbutan-2-amine
SMILESCCC(Cc1ccccc1)NCC(C)CN1CCCC1
InChIInChI=1S/C18H30N2/c1-3-18(13-17-9-5-4-6-10-17)19-14-16(2)15-20-11-7-8-12-20/h4-6,9-10,16,18-19H,3,7-8,11-15H2,1-2H3
InChIKeyOHQOXKCFHVNMTG-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.33
Rot. Bonds8

About N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylbutan-2-amine

N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylbutan-2-amine (PubChem CID 79008482) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylbutan-2-amine.

Molecular Properties

Compound NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylbutan-2-amine
PubChem CID79008482
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylbutan-2-amine
SMILESCCC(Cc1ccccc1)NCC(C)CN1CCCC1
InChIInChI=1S/C18H30N2/c1-3-18(13-17-9-5-4-6-10-17)19-14-16(2)15-20-11-7-8-12-20/h4-6,9-10,16,18-19H,3,7-8,11-15H2,1-2H3
InChIKeyOHQOXKCFHVNMTG-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,3-diphenylpropan-2-yl)-2-methylbutan-1-amine
CID 63478564
(2R)-N-methyl-1-phenyl-3-piperidin-1-ylpropan-2-amine
CID 101204001
2-methyl-N-(3-phenylpropyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 55025768
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylpentan-1-amine
CID 63463886
N-(2-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 61221225
N-(2,2-dimethoxyethyl)-1-phenylbutan-2-amine
CID 79007730
1-benzyl-2-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 110954630
N-(2,2-diethoxyethyl)-1-phenylbutan-2-amine
CID 79547344
1-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-2-amine
CID 103783250
1-[3-(4-ethylphenyl)-2-methylpropyl]piperidine
CID 139561533
N-(cyclobutylmethyl)-1-phenylbutan-2-amine
CID 79007195
2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 62993891

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylbutan-2-amine?
The IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylbutan-2-amine (CID 79008482) is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylbutan-2-amine.
What is the SMILES notation for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylbutan-2-amine?
The canonical SMILES for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylbutan-2-amine is CCC(Cc1ccccc1)NCC(C)CN1CCCC1.
What is the InChIKey of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylbutan-2-amine?
The InChIKey is OHQOXKCFHVNMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-18(13-17-9-5-4-6-10-17)19-14-16(2)15-20-11-7-8-12-20/h4-6,9-10,16,18-19H,3,7-8,11-15H2,1-2H3.
What are the key properties of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylbutan-2-amine?
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylbutan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylbutan-2-amine is sourced from PubChem (CID 79008482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).