N-[(3-chlorophenyl)methyl]-N-methyl-3-pyrrolidin-2-ylpropan-1-amine

C15H23ClN2 — CID 62480473

IUPACN-[(3-chlorophenyl)methyl]-N-methyl-3-pyrrolidin-2-ylpropan-1-amine
SMILESCN(CCCC1CCCN1)Cc1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2/c1-18(10-4-8-15-7-3-9-17-15)12-13-5-2-6-14(16)11-13/h2,5-6,11,15,17H,3-4,7-10,12H2,1H3
InChIKeyLVVMMHCUBIIUKP-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.30
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-N-methyl-3-pyrrolidin-2-ylpropan-1-amine

N-[(3-chlorophenyl)methyl]-N-methyl-3-pyrrolidin-2-ylpropan-1-amine (PubChem CID 62480473) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-methyl-3-pyrrolidin-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-methyl-3-pyrrolidin-2-ylpropan-1-amine
PubChem CID62480473
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC NameN-[(3-chlorophenyl)methyl]-N-methyl-3-pyrrolidin-2-ylpropan-1-amine
SMILESCN(CCCC1CCCN1)Cc1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2/c1-18(10-4-8-15-7-3-9-17-15)12-13-5-2-6-14(16)11-13/h2,5-6,11,15,17H,3-4,7-10,12H2,1H3
InChIKeyLVVMMHCUBIIUKP-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3-chlorophenyl)ethyl]pyrrolidine
CID 82077914
N-[(3-chlorophenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide
CID 62210205
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802
N-(furan-2-ylmethyl)-N-methyl-3-pyrrolidin-2-ylpropan-1-amine
CID 62479770
N-[(4-bromophenyl)methyl]-N-methyl-3-piperidin-2-ylpropan-1-amine
CID 55047549
N-methyl-N-(naphthalen-2-ylmethyl)-2-pyrrolidin-2-ylethanamine
CID 115210395
N-methyl-3-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 79476302
6-chloro-N-[(3-chlorophenyl)methyl]-N-methylhexan-1-amine
CID 55192519
2-[(3-chlorophenyl)methyl]azepane
CID 5094056
(2S)-2-[(3-chlorophenyl)methoxymethyl]pyrrolidine
CID 35754000
2-[(3-chlorophenyl)methylsulfanylmethyl]pyrrolidine
CID 115071001
1-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
CID 122557133

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-3-pyrrolidin-2-ylpropan-1-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-3-pyrrolidin-2-ylpropan-1-amine (CID 62480473) is N-[(3-chlorophenyl)methyl]-N-methyl-3-pyrrolidin-2-ylpropan-1-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-methyl-3-pyrrolidin-2-ylpropan-1-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-methyl-3-pyrrolidin-2-ylpropan-1-amine is CN(CCCC1CCCN1)Cc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-methyl-3-pyrrolidin-2-ylpropan-1-amine?
The InChIKey is LVVMMHCUBIIUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-18(10-4-8-15-7-3-9-17-15)12-13-5-2-6-14(16)11-13/h2,5-6,11,15,17H,3-4,7-10,12H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-methyl-3-pyrrolidin-2-ylpropan-1-amine?
N-[(3-chlorophenyl)methyl]-N-methyl-3-pyrrolidin-2-ylpropan-1-amine has a molecular weight of 266.82 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-methyl-3-pyrrolidin-2-ylpropan-1-amine is sourced from PubChem (CID 62480473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).