2-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine

C13H19ClN2 — CID 68725719

IUPAC2-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
SMILESClc1ccc(CCNC[C@H]2CCCN2)cc1
InChIInChI=1S/C13H19ClN2/c14-12-5-3-11(4-6-12)7-9-15-10-13-2-1-8-16-13/h3-6,13,15-16H,1-2,7-10H2/t13-/m1/s1
InChIKeyBKSHUPCRRBCAAD-CYBMUJFWSA-N
MW238.76 g/mol
LogP2.22
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine

2-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine (PubChem CID 68725719) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
PubChem CID68725719
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name2-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
SMILESClc1ccc(CCNC[C@H]2CCCN2)cc1
InChIInChI=1S/C13H19ClN2/c14-12-5-3-11(4-6-12)7-9-15-10-13-2-1-8-16-13/h3-6,13,15-16H,1-2,7-10H2/t13-/m1/s1
InChIKeyBKSHUPCRRBCAAD-CYBMUJFWSA-N
XLogP2.22
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632818
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 86329577
N-[(4-propylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208236
N-[2-(4-ethylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine
CID 115210402
2-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106637852
2-[2-(4-chlorophenyl)ethylsulfonylmethyl]pyrrolidine
CID 115071203
2-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 54797397
N-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61372532
2-(3-bromo-4-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 115208373
N-[(4-fluorophenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86329810
N-[(4-fluorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 86329812
5-[2-(pyrrolidin-2-ylmethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115208383

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine (CID 68725719) is 2-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine is Clc1ccc(CCNC[C@H]2CCCN2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine?
The InChIKey is BKSHUPCRRBCAAD-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19ClN2/c14-12-5-3-11(4-6-12)7-9-15-10-13-2-1-8-16-13/h3-6,13,15-16H,1-2,7-10H2/t13-/m1/s1.
What are the key properties of 2-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine?
2-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine has a molecular weight of 238.76 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 68725719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).