N-[(3-chloro-4-methoxyphenyl)methyl]-3,5-dimethoxyaniline

C16H18ClNO3 — CID 65022418

IUPACN-[(3-chloro-4-methoxyphenyl)methyl]-3,5-dimethoxyaniline
SMILESCOc1cc(NCc2ccc(OC)c(Cl)c2)cc(OC)c1
InChIInChI=1S/C16H18ClNO3/c1-19-13-7-12(8-14(9-13)20-2)18-10-11-4-5-16(21-3)15(17)6-11/h4-9,18H,10H2,1-3H3
InChIKeyGPIMRSZUIAHRCW-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.98
Rot. Bonds6

About N-[(3-chloro-4-methoxyphenyl)methyl]-3,5-dimethoxyaniline

N-[(3-chloro-4-methoxyphenyl)methyl]-3,5-dimethoxyaniline (PubChem CID 65022418) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)methyl]-3,5-dimethoxyaniline.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)methyl]-3,5-dimethoxyaniline
PubChem CID65022418
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC NameN-[(3-chloro-4-methoxyphenyl)methyl]-3,5-dimethoxyaniline
SMILESCOc1cc(NCc2ccc(OC)c(Cl)c2)cc(OC)c1
InChIInChI=1S/C16H18ClNO3/c1-19-13-7-12(8-14(9-13)20-2)18-10-11-4-5-16(21-3)15(17)6-11/h4-9,18H,10H2,1-3H3
InChIKeyGPIMRSZUIAHRCW-UHFFFAOYSA-N
XLogP3.98
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
CID 65022380
N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethoxyaniline
CID 106816044
4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
CID 107265945
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 65021575
N-[(3-chloro-4-methoxyphenyl)methyl]-3-propoxyaniline
CID 65022702
N-[(3-chloro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline
CID 65022462
2-[4-[(3-chloro-4-methoxyphenyl)methylamino]phenyl]acetonitrile
CID 65021363
5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyaniline
CID 65022123
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 65022037
N-[(3-chloro-4-prop-2-enoxyphenyl)methyl]-4-methoxyaniline
CID 126127925
2-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline
CID 107631106
N-[(3-chloro-4-methoxyphenyl)methyl]-4-thiophen-3-ylaniline
CID 90917753

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-3,5-dimethoxyaniline?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-3,5-dimethoxyaniline (CID 65022418) is N-[(3-chloro-4-methoxyphenyl)methyl]-3,5-dimethoxyaniline.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)methyl]-3,5-dimethoxyaniline?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)methyl]-3,5-dimethoxyaniline is COc1cc(NCc2ccc(OC)c(Cl)c2)cc(OC)c1.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)methyl]-3,5-dimethoxyaniline?
The InChIKey is GPIMRSZUIAHRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-19-13-7-12(8-14(9-13)20-2)18-10-11-4-5-16(21-3)15(17)6-11/h4-9,18H,10H2,1-3H3.
What are the key properties of N-[(3-chloro-4-methoxyphenyl)methyl]-3,5-dimethoxyaniline?
N-[(3-chloro-4-methoxyphenyl)methyl]-3,5-dimethoxyaniline has a molecular weight of 307.78 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methoxyphenyl)methyl]-3,5-dimethoxyaniline is sourced from PubChem (CID 65022418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).