N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline

C15H16ClNO2 — CID 65022380

IUPACN-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
SMILESCOc1cccc(NCc2ccc(OC)c(Cl)c2)c1
InChIInChI=1S/C15H16ClNO2/c1-18-13-5-3-4-12(9-13)17-10-11-6-7-15(19-2)14(16)8-11/h3-9,17H,10H2,1-2H3
InChIKeyRINRZQFUCCYTOT-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.97
Rot. Bonds5

About N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline

N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline (PubChem CID 65022380) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
PubChem CID65022380
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC NameN-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
SMILESCOc1cccc(NCc2ccc(OC)c(Cl)c2)c1
InChIInChI=1S/C15H16ClNO2/c1-18-13-5-3-4-12(9-13)17-10-11-6-7-15(19-2)14(16)8-11/h3-9,17H,10H2,1-2H3
InChIKeyRINRZQFUCCYTOT-UHFFFAOYSA-N
XLogP3.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4-methoxyphenyl)methyl]-3-propoxyaniline
CID 65022702
N-[(3-chloro-4-methoxyphenyl)methyl]-3,5-dimethoxyaniline
CID 65022418
N-[(3-chloro-4-fluorophenyl)methyl]-3-methoxyaniline
CID 81144109
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 65022037
4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
CID 107265945
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 65021575
3-chloro-N-[(3-methoxyphenyl)methyl]-4-propoxyaniline
CID 60935346
N-[(4-iodophenyl)methyl]-3-methoxyaniline
CID 65478997
(1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81354628
N-[(2-chlorophenyl)methyl]-3-methoxyaniline
CID 23795463
3-ethoxy-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 60935106
N-[(3-chloro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline
CID 65022462

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline (CID 65022380) is N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline is COc1cccc(NCc2ccc(OC)c(Cl)c2)c1.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline?
The InChIKey is RINRZQFUCCYTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-18-13-5-3-4-12(9-13)17-10-11-6-7-15(19-2)14(16)8-11/h3-9,17H,10H2,1-2H3.
What are the key properties of N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline?
N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline has a molecular weight of 277.75 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline is sourced from PubChem (CID 65022380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).