(3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine

C14H21ClN2 — CID 58688933

IUPAC(3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine
SMILESCN[C@@H]1CCN(CCCc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H21ClN2/c1-16-14-8-10-17(11-14)9-2-3-12-4-6-13(15)7-5-12/h4-7,14,16H,2-3,8-11H2,1H3/t14-/m1/s1
InChIKeyZLFQIDUTHUOIIR-CQSZACIVSA-N
MW252.79 g/mol
LogP2.57
Rot. Bonds5

About (3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine

(3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine (PubChem CID 58688933) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is (3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine
PubChem CID58688933
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name(3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine
SMILESCN[C@@H]1CCN(CCCc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H21ClN2/c1-16-14-8-10-17(11-14)9-2-3-12-4-6-13(15)7-5-12/h4-7,14,16H,2-3,8-11H2,1H3/t14-/m1/s1
InChIKeyZLFQIDUTHUOIIR-CQSZACIVSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-methyl-1-(3-phenylpropyl)pyrrolidin-3-amine
CID 142940640
N-[[1-[2-(4-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513584
1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 42254398
1-[(4-aminophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 126490088
1-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpiperidin-4-amine
CID 54976190
1-[3-[3-(4-chlorophenyl)propoxy]propyl]-4-methylpiperidine
CID 11947991
[(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid
CID 154457780
N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 30983457
8-[2-(4-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55107251
[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamic acid
CID 155341898
N-(4-chlorophenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 81493727
1-[2-(4-chlorophenyl)ethyl]-4-methylazepane
CID 166314408

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of (3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine (CID 58688933) is (3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine is CN[C@@H]1CCN(CCCc2ccc(Cl)cc2)C1.
What is the InChIKey of (3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine?
The InChIKey is ZLFQIDUTHUOIIR-CQSZACIVSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-16-14-8-10-17(11-14)9-2-3-12-4-6-13(15)7-5-12/h4-7,14,16H,2-3,8-11H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine?
(3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine has a molecular weight of 252.79 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 58688933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).