N-(4-ethylphenyl)pyrrolidin-3-amine

C12H18N2 — CID 79724567

IUPACN-(4-ethylphenyl)pyrrolidin-3-amine
SMILESCCc1ccc(NC2CCNC2)cc1
InChIInChI=1S/C12H18N2/c1-2-10-3-5-11(6-4-10)14-12-7-8-13-9-12/h3-6,12-14H,2,7-9H2,1H3
InChIKeyFEBQWUZBHVPYJE-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.02
Rot. Bonds3

About N-(4-ethylphenyl)pyrrolidin-3-amine

N-(4-ethylphenyl)pyrrolidin-3-amine (PubChem CID 79724567) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-(4-ethylphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(4-ethylphenyl)pyrrolidin-3-amine
PubChem CID79724567
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-(4-ethylphenyl)pyrrolidin-3-amine
SMILESCCc1ccc(NC2CCNC2)cc1
InChIInChI=1S/C12H18N2/c1-2-10-3-5-11(6-4-10)14-12-7-8-13-9-12/h3-6,12-14H,2,7-9H2,1H3
InChIKeyFEBQWUZBHVPYJE-UHFFFAOYSA-N
XLogP2.02
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethylphenyl)piperidin-4-amine
CID 43829435
N-(4-methylphenyl)pyrrolidin-3-amine
CID 68925011
(3R)-N-(4-ethyl-3-methylphenyl)pyrrolidin-3-amine
CID 71052306
N-(4-ethylphenyl)cyclododecanamine
CID 63422898
4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689710
4-[[(3R)-pyrrolidin-3-yl]amino]benzonitrile
CID 58254788
N-[(3R)-pyrrolidin-3-yl]pyridin-4-amine
CID 89333322
N-methyl-4-(pyrrolidin-3-ylamino)benzamide
CID 79723972
2-(4-ethylphenoxy)-N-pyrrolidin-3-ylacetamide
CID 119450074
N-(4-ethylphenyl)-1,1-dioxothian-4-amine
CID 43511548
1-methyl-5-(pyrrolidin-3-ylamino)pyridin-2-one
CID 79730284
N-pyrrolidin-3-yl-1H-pyrrol-3-amine
CID 115118616

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)pyrrolidin-3-amine?
The IUPAC name of N-(4-ethylphenyl)pyrrolidin-3-amine (CID 79724567) is N-(4-ethylphenyl)pyrrolidin-3-amine.
What is the SMILES notation for N-(4-ethylphenyl)pyrrolidin-3-amine?
The canonical SMILES for N-(4-ethylphenyl)pyrrolidin-3-amine is CCc1ccc(NC2CCNC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)pyrrolidin-3-amine?
The InChIKey is FEBQWUZBHVPYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-2-10-3-5-11(6-4-10)14-12-7-8-13-9-12/h3-6,12-14H,2,7-9H2,1H3.
What are the key properties of N-(4-ethylphenyl)pyrrolidin-3-amine?
N-(4-ethylphenyl)pyrrolidin-3-amine has a molecular weight of 190.29 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 79724567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).