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

C12H18Cl2N2 — CID 119905419

IUPAC(3R)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
SMILESCC(c1cccc(Cl)c1)N1CC[C@@H](N)C1.Cl
InChIInChI=1S/C12H17ClN2.ClH/c1-9(15-6-5-12(14)8-15)10-3-2-4-11(13)7-10;/h2-4,7,9,12H,5-6,8,14H2,1H3;1H/t9?,12-;/m1./s1
InChIKeyHOUBNWOAKAFILL-ZHWMGRLRSA-N
MW261.20 g/mol
LogP2.86
Rot. Bonds2

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

(3R)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 119905419) has the molecular formula C12H18Cl2N2 and a molecular weight of 261.20 g/mol. Its IUPAC name is (3R)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
PubChem CID119905419
Molecular FormulaC12H18Cl2N2
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC Name(3R)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
SMILESCC(c1cccc(Cl)c1)N1CC[C@@H](N)C1.Cl
InChIInChI=1S/C12H17ClN2.ClH/c1-9(15-6-5-12(14)8-15)10-3-2-4-11(13)7-10;/h2-4,7,9,12H,5-6,8,14H2,1H3;1H/t9?,12-;/m1./s1
InChIKeyHOUBNWOAKAFILL-ZHWMGRLRSA-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

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Related Compounds

1-[1-(4-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119917726
3-[1-(3-aminopyrrolidin-1-yl)ethyl]phenol
CID 62068559
1-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 119925793
1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923709
N-[[1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 62512123
1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine
CID 54965150
2-[1-(3-chlorophenyl)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79940142
N-[[(3R)-1-[(1R)-1-(3-chlorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide
CID 100838908
[1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918135
1-[1-(4-chlorophenyl)ethyl]piperidin-3-amine
CID 61297742
3-[1-(4-aminopiperidin-1-yl)ethyl]benzonitrile
CID 63990737
3-[1-(3-aminopiperidin-1-yl)ethyl]benzonitrile
CID 63991329

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3R)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride (CID 119905419) is (3R)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride is CC(c1cccc(Cl)c1)N1CC[C@@H](N)C1.Cl.
What is the InChIKey of (3R)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is HOUBNWOAKAFILL-ZHWMGRLRSA-N. The full InChI is InChI=1S/C12H17ClN2.ClH/c1-9(15-6-5-12(14)8-15)10-3-2-4-11(13)7-10;/h2-4,7,9,12H,5-6,8,14H2,1H3;1H/t9?,12-;/m1./s1.
What are the key properties of (3R)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride?
(3R)-1-[1-(3-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 (3R)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119905419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).