N-(3-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine

C12H17ClN2 — CID 81466507

IUPACN-(3-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine
SMILESCC1CC(Nc2cccc(Cl)c2)CN1C
InChIInChI=1S/C12H17ClN2/c1-9-6-12(8-15(9)2)14-11-5-3-4-10(13)7-11/h3-5,7,9,12,14H,6,8H2,1-2H3
InChIKeyKTRGJTXKVPYZMO-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.84
Rot. Bonds2

About N-(3-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine

N-(3-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine (PubChem CID 81466507) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine
PubChem CID81466507
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC NameN-(3-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine
SMILESCC1CC(Nc2cccc(Cl)c2)CN1C
InChIInChI=1S/C12H17ClN2/c1-9-6-12(8-15(9)2)14-11-5-3-4-10(13)7-11/h3-5,7,9,12,14H,6,8H2,1-2H3
InChIKeyKTRGJTXKVPYZMO-UHFFFAOYSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-N-(3-chlorophenyl)-5-methylpyrrolidin-3-amine
CID 130528224
[3-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]urea
CID 81466059
1,5-dimethyl-N-(2,4,6-trichlorophenyl)pyrrolidin-3-amine
CID 81466036
N-(4-chloro-3-nitrophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466441
1,5-dimethyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine
CID 81466627
3-[(1,5-dimethylpyrrolidin-3-yl)amino]-N-propan-2-ylbenzamide
CID 81466811
N-(3-chlorophenyl)-1-methylpiperidin-4-amine
CID 13336311
1,5-dimethyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidin-3-amine
CID 81467030
N-(3,5-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466113
N-(6-bromonaphthalen-2-yl)-1,5-dimethylpyrrolidin-3-amine
CID 81467875
N-(9H-fluoren-2-yl)-1,5-dimethylpyrrolidin-3-amine
CID 81469099
1,5-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidin-3-amine
CID 81466455

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine?
The IUPAC name of N-(3-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine (CID 81466507) is N-(3-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-(3-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-(3-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine is CC1CC(Nc2cccc(Cl)c2)CN1C.
What is the InChIKey of N-(3-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine?
The InChIKey is KTRGJTXKVPYZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-9-6-12(8-15(9)2)14-11-5-3-4-10(13)7-11/h3-5,7,9,12,14H,6,8H2,1-2H3.
What are the key properties of N-(3-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine?
N-(3-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine has a molecular weight of 224.73 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 81466507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).