1-(2-chlorophenyl)-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine

C14H21ClN2 — CID 102819503

IUPAC1-(2-chlorophenyl)-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
SMILESCC(c1ccccc1Cl)N(C)C[C@H]1CCCN1
InChIInChI=1S/C14H21ClN2/c1-11(13-7-3-4-8-14(13)15)17(2)10-12-6-5-9-16-12/h3-4,7-8,11-12,16H,5-6,9-10H2,1-2H3/t11?,12-/m1/s1
InChIKeyPPWQOHAUQVXGPN-PIJUOVFKSA-N
MW252.79 g/mol
LogP3.08
Rot. Bonds4

About 1-(2-chlorophenyl)-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine

1-(2-chlorophenyl)-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine (PubChem CID 102819503) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
PubChem CID102819503
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-(2-chlorophenyl)-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
SMILESCC(c1ccccc1Cl)N(C)C[C@H]1CCCN1
InChIInChI=1S/C14H21ClN2/c1-11(13-7-3-4-8-14(13)15)17(2)10-12-6-5-9-16-12/h3-4,7-8,11-12,16H,5-6,9-10H2,1-2H3/t11?,12-/m1/s1
InChIKeyPPWQOHAUQVXGPN-PIJUOVFKSA-N
XLogP3.08
TPSA15.27 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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-chlorophenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606396
1-(2-methoxyphenyl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106623052
1-(4-chlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 62980654
1-(2-chlorophenyl)-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 112736627
1-(3,4-dichlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106602368
N,2-dimethyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106602398
2-[1-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]phenol
CID 106606415
1-(2,4-difluorophenyl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622772
N-methyl-1,1-diphenyl-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106602654
N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide
CID 119715165
N-[1-(2-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541521
1-(2-bromophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603332

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine (CID 102819503) is 1-(2-chlorophenyl)-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine is CC(c1ccccc1Cl)N(C)C[C@H]1CCCN1.
What is the InChIKey of 1-(2-chlorophenyl)-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine?
The InChIKey is PPWQOHAUQVXGPN-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-11(13-7-3-4-8-14(13)15)17(2)10-12-6-5-9-16-12/h3-4,7-8,11-12,16H,5-6,9-10H2,1-2H3/t11?,12-/m1/s1.
What are the key properties of 1-(2-chlorophenyl)-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine?
1-(2-chlorophenyl)-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine has a molecular weight of 252.79 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 102819503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).