N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxyaniline

C14H15ClN2O — CID 117027311

IUPACN-[3-(aminomethyl)phenyl]-5-chloro-2-methoxyaniline
SMILESCOc1ccc(Cl)cc1Nc1cccc(CN)c1
InChIInChI=1S/C14H15ClN2O/c1-18-14-6-5-11(15)8-13(14)17-12-4-2-3-10(7-12)9-16/h2-8,17H,9,16H2,1H3
InChIKeyYARJHYZOPJGNHT-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.55
Rot. Bonds4

About N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxyaniline

N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxyaniline (PubChem CID 117027311) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxyaniline.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-5-chloro-2-methoxyaniline
PubChem CID117027311
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC NameN-[3-(aminomethyl)phenyl]-5-chloro-2-methoxyaniline
SMILESCOc1ccc(Cl)cc1Nc1cccc(CN)c1
InChIInChI=1S/C14H15ClN2O/c1-18-14-6-5-11(15)8-13(14)17-12-4-2-3-10(7-12)9-16/h2-8,17H,9,16H2,1H3
InChIKeyYARJHYZOPJGNHT-UHFFFAOYSA-N
XLogP3.55
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(3-chlorophenyl)-2-methoxyaniline
CID 82536935
N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxybenzamide
CID 63254170
N-[[3-(aminomethyl)phenyl]methyl]-N'-(5-chloro-2-methoxyphenyl)oxamide
CID 108502199
3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline
CID 174680323
N-[4-(aminomethyl)phenyl]-2-methoxy-5-methylaniline
CID 117027386
5-chloro-2-methoxy-N-(2-methoxyphenyl)aniline
CID 10264756
5-chloro-N-(2-chlorophenyl)-2-methoxyaniline
CID 82536966
N-(5-chloro-2-methoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 42911755
4-(5-chloro-2-methoxyanilino)-2-fluorobenzenecarbothioamide
CID 115367799
N-(3-chlorophenyl)-3-fluoro-4-methoxyaniline
CID 82536944
5-chloro-N-(2-fluoroethyl)-2-methoxyaniline
CID 80700235
5-fluoro-N-(3-fluorophenyl)-2-methoxyaniline
CID 82537168

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxyaniline?
The IUPAC name of N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxyaniline (CID 117027311) is N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxyaniline.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxyaniline?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxyaniline is COc1ccc(Cl)cc1Nc1cccc(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxyaniline?
The InChIKey is YARJHYZOPJGNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-18-14-6-5-11(15)8-13(14)17-12-4-2-3-10(7-12)9-16/h2-8,17H,9,16H2,1H3.
What are the key properties of N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxyaniline?
N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxyaniline has a molecular weight of 262.74 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxyaniline is sourced from PubChem (CID 117027311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).