4-[[4-(aminomethyl)-2-chlorophenyl]methoxy]aniline

C14H15ClN2O — CID 169243522

IUPAC4-[[4-(aminomethyl)-2-chlorophenyl]methoxy]aniline
SMILESNCc1ccc(COc2ccc(N)cc2)c(Cl)c1
InChIInChI=1S/C14H15ClN2O/c15-14-7-10(8-16)1-2-11(14)9-18-13-5-3-12(17)4-6-13/h1-7H,8-9,16-17H2
InChIKeyABBZJZSUILCIHL-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.96
Rot. Bonds4

About 4-[[4-(aminomethyl)-2-chlorophenyl]methoxy]aniline

4-[[4-(aminomethyl)-2-chlorophenyl]methoxy]aniline (PubChem CID 169243522) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-[[4-(aminomethyl)-2-chlorophenyl]methoxy]aniline.

Molecular Properties

Compound Name4-[[4-(aminomethyl)-2-chlorophenyl]methoxy]aniline
PubChem CID169243522
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name4-[[4-(aminomethyl)-2-chlorophenyl]methoxy]aniline
SMILESNCc1ccc(COc2ccc(N)cc2)c(Cl)c1
InChIInChI=1S/C14H15ClN2O/c15-14-7-10(8-16)1-2-11(14)9-18-13-5-3-12(17)4-6-13/h1-7H,8-9,16-17H2
InChIKeyABBZJZSUILCIHL-UHFFFAOYSA-N
XLogP2.96
TPSA61.27 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 ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[[4-(aminomethyl)-2-chlorophenyl]methoxy]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-chloro-4-[(3,5-dimethylphenoxy)methyl]phenyl]methanamine
CID 102663465
4-[(2,4-dichlorophenyl)methoxy]aniline
CID 11579870
[3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]phenyl]methanol
CID 102663566
3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]-N,N-dimethylaniline
CID 102663561
[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine
CID 22687493
[3-chloro-4-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]methanamine
CID 102663627
[3-chloro-4-[(2-methoxyphenoxy)methyl]phenyl]methanamine
CID 102663469
[3-chloro-4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
CID 102663556
[3-chloro-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine
CID 102663509
[3-chloro-4-[(2,3-difluorophenoxy)methyl]phenyl]methanamine
CID 102663575
3-chloro-4-[(4-hydroxyphenoxy)methyl]phenol
CID 117219716
[4-[(4-chloro-3-methylphenoxy)methyl]-3-fluorophenyl]methanamine
CID 43530909

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(aminomethyl)-2-chlorophenyl]methoxy]aniline?
The IUPAC name of 4-[[4-(aminomethyl)-2-chlorophenyl]methoxy]aniline (CID 169243522) is 4-[[4-(aminomethyl)-2-chlorophenyl]methoxy]aniline.
What is the SMILES notation for 4-[[4-(aminomethyl)-2-chlorophenyl]methoxy]aniline?
The canonical SMILES for 4-[[4-(aminomethyl)-2-chlorophenyl]methoxy]aniline is NCc1ccc(COc2ccc(N)cc2)c(Cl)c1.
What is the InChIKey of 4-[[4-(aminomethyl)-2-chlorophenyl]methoxy]aniline?
The InChIKey is ABBZJZSUILCIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-14-7-10(8-16)1-2-11(14)9-18-13-5-3-12(17)4-6-13/h1-7H,8-9,16-17H2.
What are the key properties of 4-[[4-(aminomethyl)-2-chlorophenyl]methoxy]aniline?
4-[[4-(aminomethyl)-2-chlorophenyl]methoxy]aniline has a molecular weight of 262.74 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(aminomethyl)-2-chlorophenyl]methoxy]aniline is sourced from PubChem (CID 169243522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).