N-[1-(2-chlorophenyl)ethyl]pyrrolidin-3-amine

C12H17ClN2 — CID 79724475

IUPACN-[1-(2-chlorophenyl)ethyl]pyrrolidin-3-amine
SMILESCC(NC1CCNC1)c1ccccc1Cl
InChIInChI=1S/C12H17ClN2/c1-9(15-10-6-7-14-8-10)11-4-2-3-5-12(11)13/h2-5,9-10,14-15H,6-8H2,1H3
InChIKeyDIGPNAADHUPDKK-UHFFFAOYSA-N
MW224.74 g/mol
LogP2.35
Rot. Bonds3

About N-[1-(2-chlorophenyl)ethyl]pyrrolidin-3-amine

N-[1-(2-chlorophenyl)ethyl]pyrrolidin-3-amine (PubChem CID 79724475) has the molecular formula C12H17ClN2 and a molecular weight of 224.74 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]pyrrolidin-3-amine
PubChem CID79724475
Molecular FormulaC12H17ClN2
Molecular Weight224.74 g/mol
Exact Mass224.11
IUPAC NameN-[1-(2-chlorophenyl)ethyl]pyrrolidin-3-amine
SMILESCC(NC1CCNC1)c1ccccc1Cl
InChIInChI=1S/C12H17ClN2/c1-9(15-10-6-7-14-8-10)11-4-2-3-5-12(11)13/h2-5,9-10,14-15H,6-8H2,1H3
InChIKeyDIGPNAADHUPDKK-UHFFFAOYSA-N
XLogP2.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.74
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;dihydrochloride
CID 67407230
N-[(1R)-1-(2-chlorophenyl)ethyl]thian-4-amine
CID 81376998
N-[1-(2-chlorophenyl)ethyl]oxan-4-amine
CID 43608488
N-[(1R)-1-(2-methylphenyl)ethyl]piperidin-3-amine
CID 81373256
1-[4-[1-(2-chlorophenyl)ethylamino]piperidin-1-yl]ethanone
CID 43223681
N-[1-(2-chlorophenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471035
1-N-[(1R)-1-(2-chlorophenyl)ethyl]cyclobutane-1,3-diamine
CID 81377651
N-[1-(2-chlorophenyl)ethyl]-1-oxothian-4-amine
CID 54981846
N-[(1R)-1-(2-chlorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 81377645
(3S)-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine
CID 71637667
N-[1-(2-chlorophenyl)ethyl]spiro[4.5]decan-8-amine
CID 114817141
(3S)-N-[1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 71637660

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]pyrrolidin-3-amine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]pyrrolidin-3-amine (CID 79724475) is N-[1-(2-chlorophenyl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]pyrrolidin-3-amine is CC(NC1CCNC1)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]pyrrolidin-3-amine?
The InChIKey is DIGPNAADHUPDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-9(15-10-6-7-14-8-10)11-4-2-3-5-12(11)13/h2-5,9-10,14-15H,6-8H2,1H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]pyrrolidin-3-amine?
N-[1-(2-chlorophenyl)ethyl]pyrrolidin-3-amine has a molecular weight of 224.74 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 79724475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).