N-[(2-chloro-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine

C14H21ClN2O — CID 115208923

IUPACN-[(2-chloro-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine
SMILESCOc1ccc(CN(C)CC2CCNC2)c(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-17(9-11-5-6-16-8-11)10-12-3-4-13(18-2)7-14(12)15/h3-4,7,11,16H,5-6,8-10H2,1-2H3
InChIKeyPGONEFKONSHQML-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.39
Rot. Bonds5

About N-[(2-chloro-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine

N-[(2-chloro-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine (PubChem CID 115208923) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-[(2-chloro-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(2-chloro-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine
PubChem CID115208923
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-[(2-chloro-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine
SMILESCOc1ccc(CN(C)CC2CCNC2)c(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-17(9-11-5-6-16-8-11)10-12-3-4-13(18-2)7-14(12)15/h3-4,7,11,16H,5-6,8-10H2,1-2H3
InChIKeyPGONEFKONSHQML-UHFFFAOYSA-N
XLogP2.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-methoxy-N-methyl-N-(2-pyrrolidin-3-ylethyl)aniline
CID 115210675
N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 97164652
2-chloro-4-methoxy-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208589
N-[(2-chloro-4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 115209649
2-[[cyclopropylmethyl(methyl)amino]methyl]-5-methoxyaniline
CID 115413829
1-(2-chloro-4-methoxyphenyl)-2-pyrrolidin-3-ylethanamine
CID 116936145
5-methoxy-2-(pyrrolidin-3-ylmethyl)aniline
CID 105459503
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 115244233
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120851649
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815655
1-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 111824359
2-[(2-chloro-4-methoxyphenyl)methyl-methylamino]acetonitrile
CID 115131113

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine?
The IUPAC name of N-[(2-chloro-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine (CID 115208923) is N-[(2-chloro-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine.
What is the SMILES notation for N-[(2-chloro-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine?
The canonical SMILES for N-[(2-chloro-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine is COc1ccc(CN(C)CC2CCNC2)c(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine?
The InChIKey is PGONEFKONSHQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-17(9-11-5-6-16-8-11)10-12-3-4-13(18-2)7-14(12)15/h3-4,7,11,16H,5-6,8-10H2,1-2H3.
What are the key properties of N-[(2-chloro-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine?
N-[(2-chloro-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine has a molecular weight of 268.79 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine is sourced from PubChem (CID 115208923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).