N-[(2-chlorophenyl)methyl]-3-methoxyaniline

C14H14ClNO — CID 23795463

IUPACN-[(2-chlorophenyl)methyl]-3-methoxyaniline
SMILESCOc1cccc(NCc2ccccc2Cl)c1
InChIInChI=1S/C14H14ClNO/c1-17-13-7-4-6-12(9-13)16-10-11-5-2-3-8-14(11)15/h2-9,16H,10H2,1H3
InChIKeyQCQDQHYYBIVNFU-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.96
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-3-methoxyaniline

N-[(2-chlorophenyl)methyl]-3-methoxyaniline (PubChem CID 23795463) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-methoxyaniline.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-methoxyaniline
PubChem CID23795463
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC NameN-[(2-chlorophenyl)methyl]-3-methoxyaniline
SMILESCOc1cccc(NCc2ccccc2Cl)c1
InChIInChI=1S/C14H14ClNO/c1-17-13-7-4-6-12(9-13)16-10-11-5-2-3-8-14(11)15/h2-9,16H,10H2,1H3
InChIKeyQCQDQHYYBIVNFU-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-(3-methylbutoxy)aniline
CID 54800547
N-[(2-chlorophenyl)methyl]-3-[2-(dimethylamino)ethoxy]aniline
CID 43720825
5-[(2-chlorophenyl)methylamino]-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109233942
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3-methoxybenzamide
CID 113027186
3-methoxy-N-[(2-nitrophenyl)methyl]aniline
CID 28585602
4-[3-[(2-chlorophenyl)methylamino]phenoxy]butanenitrile
CID 60943994
N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
CID 65022380
N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-3-methoxyaniline
CID 66800089
N-[(3-chloro-4-fluorophenyl)methyl]-3-methoxyaniline
CID 81144109
N'-(3,4-dichlorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 54805981
N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806261
3-ethoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 54800907

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-methoxyaniline?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-methoxyaniline (CID 23795463) is N-[(2-chlorophenyl)methyl]-3-methoxyaniline.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-methoxyaniline?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-methoxyaniline is COc1cccc(NCc2ccccc2Cl)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-methoxyaniline?
The InChIKey is QCQDQHYYBIVNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-17-13-7-4-6-12(9-13)16-10-11-5-2-3-8-14(11)15/h2-9,16H,10H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-3-methoxyaniline?
N-[(2-chlorophenyl)methyl]-3-methoxyaniline has a molecular weight of 247.73 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-methoxyaniline is sourced from PubChem (CID 23795463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).