N-ethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine

C17H28N2 — CID 131905999

IUPACN-ethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
SMILESCCN(CCN1CCCC1)CC(C)c1ccccc1
InChIInChI=1S/C17H28N2/c1-3-18(13-14-19-11-7-8-12-19)15-16(2)17-9-5-4-6-10-17/h4-6,9-10,16H,3,7-8,11-15H2,1-2H3
InChIKeyYDJASSFUOQTYME-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.21
Rot. Bonds7

About N-ethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine

N-ethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine (PubChem CID 131905999) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-ethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
PubChem CID131905999
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-ethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
SMILESCCN(CCN1CCCC1)CC(C)c1ccccc1
InChIInChI=1S/C17H28N2/c1-3-18(13-14-19-11-7-8-12-19)15-16(2)17-9-5-4-6-10-17/h4-6,9-10,16H,3,7-8,11-15H2,1-2H3
InChIKeyYDJASSFUOQTYME-UHFFFAOYSA-N
XLogP3.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-phenyl-N-propylpropan-1-amine
CID 143014369
N,N-diethyl-2-piperidin-1-ylethanamine;ethane
CID 176694882
N-benzhydryl-N-(2-piperidin-1-ylethyl)propan-2-amine;hydrochloride
CID 117066717
1-[2-[(2S)-2-phenylpropoxy]ethyl]piperidine
CID 141183256
2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 63206599
2-N-methyl-1-phenyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 63206567
3-[ethyl(2-pyrrolidin-1-ylethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 114015122
N-benzyl-N-[(3-ethylphenyl)methyl]-2-pyrrolidin-1-ylethanamine;ethane
CID 143170220
N-benzyl-N-[(3-ethylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 143169976
N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 69244410
N-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 91503800
1-(4-methyl-3-phenylpentyl)piperidine
CID 121339454

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
The IUPAC name of N-ethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine (CID 131905999) is N-ethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine.
What is the SMILES notation for N-ethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
The canonical SMILES for N-ethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine is CCN(CCN1CCCC1)CC(C)c1ccccc1.
What is the InChIKey of N-ethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
The InChIKey is YDJASSFUOQTYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-18(13-14-19-11-7-8-12-19)15-16(2)17-9-5-4-6-10-17/h4-6,9-10,16H,3,7-8,11-15H2,1-2H3.
What are the key properties of N-ethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
N-ethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine is sourced from PubChem (CID 131905999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).