N-ethyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine

C16H26N2 — CID 63301804

IUPACN-ethyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine
SMILESCCN(C(C)CCc1ccccc1)C1CCNC1
InChIInChI=1S/C16H26N2/c1-3-18(16-11-12-17-13-16)14(2)9-10-15-7-5-4-6-8-15/h4-8,14,16-17H,3,9-13H2,1-2H3
InChIKeyIQPLLXUUHTZBTP-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.69
Rot. Bonds6

About N-ethyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine

N-ethyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine (PubChem CID 63301804) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-ethyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine
PubChem CID63301804
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-ethyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine
SMILESCCN(C(C)CCc1ccccc1)C1CCNC1
InChIInChI=1S/C16H26N2/c1-3-18(16-11-12-17-13-16)14(2)9-10-15-7-5-4-6-8-15/h4-8,14,16-17H,3,9-13H2,1-2H3
InChIKeyIQPLLXUUHTZBTP-UHFFFAOYSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-benzyl-N-propan-2-ylpyrrolidin-3-amine
CID 66569418
N-benzhydryl-N-ethylpyrrolidin-3-amine
CID 63299768
N-[4-(4-methoxyphenyl)butan-2-yl]-N-propylpyrrolidin-3-amine
CID 63300831
4-[3-[azetidin-3-yl(ethyl)amino]butyl]phenol
CID 66183584
N-ethyl-N-(3-methyl-1-phenylbutyl)pyrrolidin-3-amine
CID 63299236
N-ethyl-N-(1-phenylethyl)piperidin-3-amine
CID 63643629
N-[1-(2-chlorophenyl)ethyl]-N-ethylpyrrolidin-3-amine
CID 63299507
N-ethyl-N-octan-2-ylpyrrolidin-3-amine
CID 63299767
N-ethyl-N-nonan-2-ylpyrrolidin-3-amine
CID 63299683
(3S)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66569411
N-benzyl-N-ethylpyrrolidin-3-amine
CID 53410837
N-ethyl-4-phenyl-N-(piperidin-3-ylmethyl)butan-2-amine
CID 106624545

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine?
The IUPAC name of N-ethyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine (CID 63301804) is N-ethyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for N-ethyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine?
The canonical SMILES for N-ethyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine is CCN(C(C)CCc1ccccc1)C1CCNC1.
What is the InChIKey of N-ethyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine?
The InChIKey is IQPLLXUUHTZBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-18(16-11-12-17-13-16)14(2)9-10-15-7-5-4-6-8-15/h4-8,14,16-17H,3,9-13H2,1-2H3.
What are the key properties of N-ethyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine?
N-ethyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine has a molecular weight of 246.40 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 63301804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).