1-(4-chlorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine

C15H23ClN2 — CID 106637240

IUPAC1-(4-chlorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCC(C)C(NCC1CCCN1)c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2/c1-11(2)15(12-5-7-13(16)8-6-12)18-10-14-4-3-9-17-14/h5-8,11,14-15,17-18H,3-4,9-10H2,1-2H3
InChIKeyJJAYERKBBMPSHG-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.38
Rot. Bonds5

About 1-(4-chlorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine

1-(4-chlorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine (PubChem CID 106637240) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
PubChem CID106637240
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-(4-chlorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCC(C)C(NCC1CCCN1)c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2/c1-11(2)15(12-5-7-13(16)8-6-12)18-10-14-4-3-9-17-14/h5-8,11,14-15,17-18H,3-4,9-10H2,1-2H3
InChIKeyJJAYERKBBMPSHG-UHFFFAOYSA-N
XLogP3.38
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-(cyclohexylmethyl)-2-methylpropan-1-amine
CID 43234095
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 81352833
N-(piperidin-2-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 106633350
1-(4-chlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 62980654
1-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106637049
1-(4-chlorophenyl)-N-methyl-2-piperidin-2-ylethanamine
CID 116951653
N-[1-(4-chlorophenyl)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605425
1-(azepan-2-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-2-amine
CID 81356229
(1S)-1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106634173
2-methyl-N-(pyrrolidin-2-ylmethyl)pentan-3-amine
CID 106638144
N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine
CID 59332807
2-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 68725719

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine (CID 106637240) is 1-(4-chlorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine is CC(C)C(NCC1CCCN1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The InChIKey is JJAYERKBBMPSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-11(2)15(12-5-7-13(16)8-6-12)18-10-14-4-3-9-17-14/h5-8,11,14-15,17-18H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
1-(4-chlorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine has a molecular weight of 266.82 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106637240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).