3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine

C14H21ClN2 — CID 83981422

IUPAC3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine
SMILESCC(CN)CC1CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H21ClN2/c1-11(9-16)8-12-6-7-17(10-12)14-4-2-13(15)3-5-14/h2-5,11-12H,6-10,16H2,1H3
InChIKeyPFWNBEKANAZACX-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.15
Rot. Bonds4

About 3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine

3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine (PubChem CID 83981422) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine
PubChem CID83981422
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine
SMILESCC(CN)CC1CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H21ClN2/c1-11(9-16)8-12-6-7-17(10-12)14-4-2-13(15)3-5-14/h2-5,11-12H,6-10,16H2,1H3
InChIKeyPFWNBEKANAZACX-UHFFFAOYSA-N
XLogP3.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine?
The IUPAC name of 3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine (CID 83981422) is 3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine is CC(CN)CC1CCN(c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine?
The InChIKey is PFWNBEKANAZACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-11(9-16)8-12-6-7-17(10-12)14-4-2-13(15)3-5-14/h2-5,11-12H,6-10,16H2,1H3.
What are the key properties of 3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine?
3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine has a molecular weight of 252.79 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 83981422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).