N-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine

C15H23ClN2O — CID 60855864

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
SMILESCCN1CCC(CNCc2cc(Cl)ccc2OC)C1
InChIInChI=1S/C15H23ClN2O/c1-3-18-7-6-12(11-18)9-17-10-13-8-14(16)4-5-15(13)19-2/h4-5,8,12,17H,3,6-7,9-11H2,1-2H3
InChIKeyKMSKXGUXWDKNRW-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.78
Rot. Bonds6

About N-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine

N-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine (PubChem CID 60855864) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
PubChem CID60855864
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
SMILESCCN1CCC(CNCc2cc(Cl)ccc2OC)C1
InChIInChI=1S/C15H23ClN2O/c1-3-18-7-6-12(11-18)9-17-10-13-8-14(16)4-5-15(13)19-2/h4-5,8,12,17H,3,6-7,9-11H2,1-2H3
InChIKeyKMSKXGUXWDKNRW-UHFFFAOYSA-N
XLogP2.78
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2-fluorophenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 115761800
N-[(2,4-dichlorophenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 60856676
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 61208914
N-[(3,4-dimethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 60855833
1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119922028
N-[(5-chloro-2-methoxyphenyl)methyl]-1-ethylpiperidin-3-amine
CID 61169801
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 119137986
4-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-2,6-dimethoxyphenol
CID 60855504
N-[(2-bromo-4-chlorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine
CID 81497827
3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699903
1-(1-ethylpiperidin-4-yl)-N-[(2-fluoro-3-methoxyphenyl)methyl]methanamine
CID 104791714
N-[(2-methoxyphenyl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 60856631

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine (CID 60855864) is N-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine is CCN1CCC(CNCc2cc(Cl)ccc2OC)C1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine?
The InChIKey is KMSKXGUXWDKNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-3-18-7-6-12(11-18)9-17-10-13-8-14(16)4-5-15(13)19-2/h4-5,8,12,17H,3,6-7,9-11H2,1-2H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine?
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine has a molecular weight of 282.81 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 60855864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).