4-chloro-N-[(2-ethoxyphenyl)methyl]aniline

C15H16ClNO — CID 900682

IUPAC4-chloro-N-[(2-ethoxyphenyl)methyl]aniline
SMILESCCOc1ccccc1CNc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO/c1-2-18-15-6-4-3-5-12(15)11-17-14-9-7-13(16)8-10-14/h3-10,17H,2,11H2,1H3
InChIKeyQPJCAFXYDVYWRM-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.35
Rot. Bonds5

About 4-chloro-N-[(2-ethoxyphenyl)methyl]aniline

4-chloro-N-[(2-ethoxyphenyl)methyl]aniline (PubChem CID 900682) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 4-chloro-N-[(2-ethoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[(2-ethoxyphenyl)methyl]aniline
PubChem CID900682
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name4-chloro-N-[(2-ethoxyphenyl)methyl]aniline
SMILESCCOc1ccccc1CNc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO/c1-2-18-15-6-4-3-5-12(15)11-17-14-9-7-13(16)8-10-14/h3-10,17H,2,11H2,1H3
InChIKeyQPJCAFXYDVYWRM-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[[2-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54796330
4-chloro-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 5201941
2-chloro-4-[(2-ethoxyphenyl)methylamino]phenol
CID 107678736
5-chloro-N-[(2-ethoxyphenyl)methyl]-2-methylaniline
CID 894349
4-ethoxy-N-[(2-propoxyphenyl)methyl]aniline
CID 39386882
4-chloro-N-[[2-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 66542531
2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine
CID 17208464
N-[[2-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-chloroaniline
CID 66541868
4-bromo-N-[(2-ethoxyphenyl)methyl]-3-methylaniline
CID 28546731
1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine
CID 43234899
N-[(2-ethoxyphenyl)methyl]-2,6-difluoroaniline
CID 28879073
N-[(2-ethoxyphenyl)methyl]-3-fluoroaniline
CID 23793082

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-ethoxyphenyl)methyl]aniline?
The IUPAC name of 4-chloro-N-[(2-ethoxyphenyl)methyl]aniline (CID 900682) is 4-chloro-N-[(2-ethoxyphenyl)methyl]aniline.
What is the SMILES notation for 4-chloro-N-[(2-ethoxyphenyl)methyl]aniline?
The canonical SMILES for 4-chloro-N-[(2-ethoxyphenyl)methyl]aniline is CCOc1ccccc1CNc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2-ethoxyphenyl)methyl]aniline?
The InChIKey is QPJCAFXYDVYWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-2-18-15-6-4-3-5-12(15)11-17-14-9-7-13(16)8-10-14/h3-10,17H,2,11H2,1H3.
What are the key properties of 4-chloro-N-[(2-ethoxyphenyl)methyl]aniline?
4-chloro-N-[(2-ethoxyphenyl)methyl]aniline has a molecular weight of 261.75 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-ethoxyphenyl)methyl]aniline is sourced from PubChem (CID 900682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).