N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-pyridin-4-ylmethanamine

C17H21ClN2O2 — CID 66530872

IUPACN-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
SMILESCCCOc1cc(Cl)c(CNCc2ccncc2)cc1OC
InChIInChI=1S/C17H21ClN2O2/c1-3-8-22-17-10-15(18)14(9-16(17)21-2)12-20-11-13-4-6-19-7-5-13/h4-7,9-10,20H,3,8,11-12H2,1-2H3
InChIKeyDLFHWOLQYFIYHK-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.82
Rot. Bonds8

About N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-pyridin-4-ylmethanamine

N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-pyridin-4-ylmethanamine (PubChem CID 66530872) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
PubChem CID66530872
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC NameN-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
SMILESCCCOc1cc(Cl)c(CNCc2ccncc2)cc1OC
InChIInChI=1S/C17H21ClN2O2/c1-3-8-22-17-10-15(18)14(9-16(17)21-2)12-20-11-13-4-6-19-7-5-13/h4-7,9-10,20H,3,8,11-12H2,1-2H3
InChIKeyDLFHWOLQYFIYHK-UHFFFAOYSA-N
XLogP3.82
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 66530787
N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 66530786
N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 66535683
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 54855342
N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]butan-2-amine
CID 66530974
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-(2-decoxyphenyl)methanamine
CID 54855675
N-[(5-chloro-2-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17331835
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 64988977
N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 66542280
N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-phenylmethanamine
CID 66529232
N-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 66529102
N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]naphthalen-1-amine
CID 66542705

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-pyridin-4-ylmethanamine?
The IUPAC name of N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-pyridin-4-ylmethanamine (CID 66530872) is N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-pyridin-4-ylmethanamine is CCCOc1cc(Cl)c(CNCc2ccncc2)cc1OC.
What is the InChIKey of N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-pyridin-4-ylmethanamine?
The InChIKey is DLFHWOLQYFIYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c1-3-8-22-17-10-15(18)14(9-16(17)21-2)12-20-11-13-4-6-19-7-5-13/h4-7,9-10,20H,3,8,11-12H2,1-2H3.
What are the key properties of N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-pyridin-4-ylmethanamine?
N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-pyridin-4-ylmethanamine has a molecular weight of 320.82 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 66530872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).