N-chloro-4-methyl-2-phenylmethoxyaniline

C14H14ClNO — CID 87749280

IUPACN-chloro-4-methyl-2-phenylmethoxyaniline
SMILESCc1ccc(NCl)c(OCc2ccccc2)c1
InChIInChI=1S/C14H14ClNO/c1-11-7-8-13(16-15)14(9-11)17-10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3
InChIKeyQVLDMXZJQFATAW-UHFFFAOYSA-N
MW247.73 g/mol
LogP4.14
Rot. Bonds4

About N-chloro-4-methyl-2-phenylmethoxyaniline

N-chloro-4-methyl-2-phenylmethoxyaniline (PubChem CID 87749280) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is N-chloro-4-methyl-2-phenylmethoxyaniline.

Molecular Properties

Compound NameN-chloro-4-methyl-2-phenylmethoxyaniline
PubChem CID87749280
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC NameN-chloro-4-methyl-2-phenylmethoxyaniline
SMILESCc1ccc(NCl)c(OCc2ccccc2)c1
InChIInChI=1S/C14H14ClNO/c1-11-7-8-13(16-15)14(9-11)17-10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3
InChIKeyQVLDMXZJQFATAW-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 47311961
2,5-dichloro-N-(4-methyl-2-phenylmethoxyphenyl)thiophene-3-carboxamide
CID 55888940
1-iodo-4-methyl-2-phenylmethoxybenzene
CID 134208884
N-ethyl-1-(4-methyl-2-phenylmethoxyphenyl)ethanamine
CID 63640314
1-(2-hydroxyethyl)-1-methyl-3-(4-methyl-2-phenylmethoxyphenyl)urea
CID 111431455
2-(2-methoxyethylamino)-N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 119726802
2-bromo-1-(4-methyl-2-phenylmethoxyphenyl)ethanone
CID 11370597
4-amino-3-methoxy-N-(4-methyl-2-phenylmethoxyphenyl)butanamide
CID 120588954
2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene
CID 14885530
3-methyl-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide
CID 86877135
N-(4-methyl-2-phenylmethoxyphenyl)-4-nitrobenzamide
CID 22010922
N-[3-[[(4-methyl-2-phenylmethoxyphenyl)carbamoylamino]methyl]phenyl]acetamide
CID 55835052

Frequently Asked Questions

What is the IUPAC name of N-chloro-4-methyl-2-phenylmethoxyaniline?
The IUPAC name of N-chloro-4-methyl-2-phenylmethoxyaniline (CID 87749280) is N-chloro-4-methyl-2-phenylmethoxyaniline.
What is the SMILES notation for N-chloro-4-methyl-2-phenylmethoxyaniline?
The canonical SMILES for N-chloro-4-methyl-2-phenylmethoxyaniline is Cc1ccc(NCl)c(OCc2ccccc2)c1.
What is the InChIKey of N-chloro-4-methyl-2-phenylmethoxyaniline?
The InChIKey is QVLDMXZJQFATAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-11-7-8-13(16-15)14(9-11)17-10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3.
What are the key properties of N-chloro-4-methyl-2-phenylmethoxyaniline?
N-chloro-4-methyl-2-phenylmethoxyaniline has a molecular weight of 247.73 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-4-methyl-2-phenylmethoxyaniline is sourced from PubChem (CID 87749280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).