N-[1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-methylpyrrolidin-3-amine

C17H25ClN2 — CID 115713569

IUPACN-[1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
SMILESCC(Cc1cccc(Cl)c1)NC1CC(C)N(C2CC2)C1
InChIInChI=1S/C17H25ClN2/c1-12(8-14-4-3-5-15(18)10-14)19-16-9-13(2)20(11-16)17-6-7-17/h3-5,10,12-13,16-17,19H,6-9,11H2,1-2H3
InChIKeyUNHWYJNFHSSWRH-UHFFFAOYSA-N
MW292.85 g/mol
LogP3.49
Rot. Bonds5

About N-[1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-methylpyrrolidin-3-amine

N-[1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-methylpyrrolidin-3-amine (PubChem CID 115713569) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
PubChem CID115713569
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC NameN-[1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
SMILESCC(Cc1cccc(Cl)c1)NC1CC(C)N(C2CC2)C1
InChIInChI=1S/C17H25ClN2/c1-12(8-14-4-3-5-15(18)10-14)19-16-9-13(2)20(11-16)17-6-7-17/h3-5,10,12-13,16-17,19H,6-9,11H2,1-2H3
InChIKeyUNHWYJNFHSSWRH-UHFFFAOYSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)propan-2-yl]cyclopentanamine
CID 43694776
4-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexane-1,4-diamine
CID 79724820
1-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexane-1,3-diamine
CID 79459034
N-[1-(3-chlorophenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine
CID 80705084
N-[1-(3-chlorophenyl)propan-2-yl]thiolan-3-amine
CID 43694783
N-[1-(3-chlorophenyl)propan-2-yl]-1-oxothian-4-amine
CID 54981472
N-butan-2-yl-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115705721
(3S,5R)-1-cyclopropyl-N-[(1S)-1-(2,3-dichlorophenyl)ethyl]-5-methylpyrrolidin-3-amine
CID 97322592
N-[1-(3-chlorophenyl)propan-2-yl]oxepan-4-amine
CID 65081836
1-cyclopropyl-N-(1-cyclopropylpropan-2-yl)-5-methylpyrrolidin-3-amine
CID 115719729
1-cyclopropyl-5-methyl-N-(4-methylsulfanylbutan-2-yl)pyrrolidin-3-amine
CID 115722032
N-[(3-bromophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115685137

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-methylpyrrolidin-3-amine?
The IUPAC name of N-[1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-methylpyrrolidin-3-amine (CID 115713569) is N-[1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-methylpyrrolidin-3-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-methylpyrrolidin-3-amine is CC(Cc1cccc(Cl)c1)NC1CC(C)N(C2CC2)C1.
What is the InChIKey of N-[1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-methylpyrrolidin-3-amine?
The InChIKey is UNHWYJNFHSSWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2/c1-12(8-14-4-3-5-15(18)10-14)19-16-9-13(2)20(11-16)17-6-7-17/h3-5,10,12-13,16-17,19H,6-9,11H2,1-2H3.
What are the key properties of N-[1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-methylpyrrolidin-3-amine?
N-[1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-methylpyrrolidin-3-amine has a molecular weight of 292.85 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-methylpyrrolidin-3-amine is sourced from PubChem (CID 115713569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).