1-[1-(4-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride

C12H18Cl2N2 — CID 119917726

IUPAC1-[1-(4-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
SMILESCC(c1ccc(Cl)cc1)N1CCC(N)C1.Cl
InChIInChI=1S/C12H17ClN2.ClH/c1-9(15-7-6-12(14)8-15)10-2-4-11(13)5-3-10;/h2-5,9,12H,6-8,14H2,1H3;1H
InChIKeyOHNCXPDMICUJFP-UHFFFAOYSA-N
MW261.20 g/mol
LogP2.86
Rot. Bonds2

About 1-[1-(4-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride

1-[1-(4-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 119917726) has the molecular formula C12H18Cl2N2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
PubChem CID119917726
Molecular FormulaC12H18Cl2N2
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC Name1-[1-(4-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
SMILESCC(c1ccc(Cl)cc1)N1CCC(N)C1.Cl
InChIInChI=1S/C12H17ClN2.ClH/c1-9(15-7-6-12(14)8-15)10-2-4-11(13)5-3-10;/h2-5,9,12H,6-8,14H2,1H3;1H
InChIKeyOHNCXPDMICUJFP-UHFFFAOYSA-N
XLogP2.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-(4-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(4-chlorophenyl)ethyl]piperidin-3-amine
CID 61297742
1-[1-(4-chlorophenyl)ethyl]piperidin-4-amine
CID 43130879
(3R)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119905419
(3R)-1-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124677629
1-[1-(4-propoxyphenyl)ethyl]pyrrolidin-3-amine
CID 62068872
N-[[1-[1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 63240956
1-[1-(4-chlorophenyl)propyl]piperidin-4-amine;hydrochloride
CID 119908754
1-[1-(2,5-difluorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119917481
1-[1-(4-tert-butylphenyl)ethyl]piperidin-4-amine;hydrochloride
CID 119908451
1-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine;hydrochloride
CID 119917520
1-[1-(4-chlorophenyl)ethyl]-3-methylpiperazine
CID 64925953
3-[1-(3-aminopyrrolidin-1-yl)ethyl]phenol
CID 62068559

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-[1-(4-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride (CID 119917726) is 1-[1-(4-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[1-(4-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-[1-(4-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride is CC(c1ccc(Cl)cc1)N1CCC(N)C1.Cl.
What is the InChIKey of 1-[1-(4-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is OHNCXPDMICUJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2.ClH/c1-9(15-7-6-12(14)8-15)10-2-4-11(13)5-3-10;/h2-5,9,12H,6-8,14H2,1H3;1H.
What are the key properties of 1-[1-(4-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride?
1-[1-(4-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 261.20 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119917726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).