N-[2-(4-chlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine

C15H23ClN2 — CID 57374009

IUPACN-[2-(4-chlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine
SMILESCC(CNCCc1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C15H23ClN2/c1-13(18-10-2-3-11-18)12-17-9-8-14-4-6-15(16)7-5-14/h4-7,13,17H,2-3,8-12H2,1H3
InChIKeyDXFXJMFMYRYHPU-UHFFFAOYSA-N
MW266.82 g/mol
LogP2.96
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine

N-[2-(4-chlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine (PubChem CID 57374009) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine
PubChem CID57374009
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine
SMILESCC(CNCCc1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C15H23ClN2/c1-13(18-10-2-3-11-18)12-17-9-8-14-4-6-15(16)7-5-14/h4-7,13,17H,2-3,8-12H2,1H3
InChIKeyDXFXJMFMYRYHPU-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 91346922
N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 54899450
1-[2-(4-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 60729575
N-[2-(4-methylphenyl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255755
N-[2-(4-chlorophenyl)ethyl]-2,4-dimethylpentan-1-amine
CID 114200118
2-[2-(4-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 60672436
N-[(3,4-dimethylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 54899736
3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylpropyl)propanamide
CID 110301735
2-piperazin-1-yl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 115255769
4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47187389
N-[(4-chloro-2-fluorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 114842146
N-[2-(4-chlorophenyl)ethyl]-2-phenylpropan-1-amine;hydrochloride
CID 17208769

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine (CID 57374009) is N-[2-(4-chlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine is CC(CNCCc1ccc(Cl)cc1)N1CCCC1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is DXFXJMFMYRYHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-13(18-10-2-3-11-18)12-17-9-8-14-4-6-15(16)7-5-14/h4-7,13,17H,2-3,8-12H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine?
N-[2-(4-chlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 266.82 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 57374009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).