3-chloro-N-methyl-2-phenylmethoxyaniline

C14H14ClNO — CID 144838514

IUPAC3-chloro-N-methyl-2-phenylmethoxyaniline
SMILESCNc1cccc(Cl)c1OCc1ccccc1
InChIInChI=1S/C14H14ClNO/c1-16-13-9-5-8-12(15)14(13)17-10-11-6-3-2-4-7-11/h2-9,16H,10H2,1H3
InChIKeyNRPZYIMZVZGBOS-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.96
Rot. Bonds4

About 3-chloro-N-methyl-2-phenylmethoxyaniline

3-chloro-N-methyl-2-phenylmethoxyaniline (PubChem CID 144838514) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is 3-chloro-N-methyl-2-phenylmethoxyaniline.

Molecular Properties

Compound Name3-chloro-N-methyl-2-phenylmethoxyaniline
PubChem CID144838514
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC Name3-chloro-N-methyl-2-phenylmethoxyaniline
SMILESCNc1cccc(Cl)c1OCc1ccccc1
InChIInChI=1S/C14H14ClNO/c1-16-13-9-5-8-12(15)14(13)17-10-11-6-3-2-4-7-11/h2-9,16H,10H2,1H3
InChIKeyNRPZYIMZVZGBOS-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

1-chloro-3-methyl-2-phenylmethoxybenzene
CID 71366901
2-(3,5-dichloro-4-phenylmethoxyphenyl)-N-methylethanamine
CID 82550820
3-[[2-chloro-6-(methylaminomethyl)phenoxy]methyl]phenol
CID 112608572
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylaniline
CID 126128677
4-chloro-2-methyl-3-phenylmethoxypyridin-1-ium chloride
CID 70353014
1-chloro-5-fluoro-3-methyl-2-phenylmethoxybenzene
CID 164895451
N-(3-ethyl-2-phenylmethoxyphenyl)methanesulfonamide
CID 67638767
N-[(2-chlorophenyl)methyl]-1-(3-methoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride
CID 17289767
2-phenylmethoxybenzene-1,3-diol
CID 15652625
4-chloro-2-fluoro-3-phenylmethoxybenzoic acid
CID 164891597
(3-chloro-2-ethoxyphenyl)hydrazine
CID 130779145
2-chloro-N-methylaniline;ethene
CID 142416453

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-2-phenylmethoxyaniline?
The IUPAC name of 3-chloro-N-methyl-2-phenylmethoxyaniline (CID 144838514) is 3-chloro-N-methyl-2-phenylmethoxyaniline.
What is the SMILES notation for 3-chloro-N-methyl-2-phenylmethoxyaniline?
The canonical SMILES for 3-chloro-N-methyl-2-phenylmethoxyaniline is CNc1cccc(Cl)c1OCc1ccccc1.
What is the InChIKey of 3-chloro-N-methyl-2-phenylmethoxyaniline?
The InChIKey is NRPZYIMZVZGBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-16-13-9-5-8-12(15)14(13)17-10-11-6-3-2-4-7-11/h2-9,16H,10H2,1H3.
What are the key properties of 3-chloro-N-methyl-2-phenylmethoxyaniline?
3-chloro-N-methyl-2-phenylmethoxyaniline 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 3-chloro-N-methyl-2-phenylmethoxyaniline is sourced from PubChem (CID 144838514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).