N-[(4-aminophenyl)methyl]-2-chloro-4-methoxyaniline

C14H15ClN2O — CID 115212369

IUPACN-[(4-aminophenyl)methyl]-2-chloro-4-methoxyaniline
SMILESCOc1ccc(NCc2ccc(N)cc2)c(Cl)c1
InChIInChI=1S/C14H15ClN2O/c1-18-12-6-7-14(13(15)8-12)17-9-10-2-4-11(16)5-3-10/h2-8,17H,9,16H2,1H3
InChIKeyDLHLRCLGTUDNOO-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.54
Rot. Bonds4

About N-[(4-aminophenyl)methyl]-2-chloro-4-methoxyaniline

N-[(4-aminophenyl)methyl]-2-chloro-4-methoxyaniline (PubChem CID 115212369) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-2-chloro-4-methoxyaniline.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-2-chloro-4-methoxyaniline
PubChem CID115212369
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC NameN-[(4-aminophenyl)methyl]-2-chloro-4-methoxyaniline
SMILESCOc1ccc(NCc2ccc(N)cc2)c(Cl)c1
InChIInChI=1S/C14H15ClN2O/c1-18-12-6-7-14(13(15)8-12)17-9-10-2-4-11(16)5-3-10/h2-8,17H,9,16H2,1H3
InChIKeyDLHLRCLGTUDNOO-UHFFFAOYSA-N
XLogP3.54
TPSA47.28 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 ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]aniline
CID 43347330
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983
N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxyaniline
CID 28537972
2-chloro-N-(furan-2-ylmethyl)-4-methoxyaniline
CID 115877187
2-chloro-N-(cyclopropylmethyl)-4-methoxyaniline
CID 130877520
(2-chloro-4-methoxyphenyl)hydrazine;hydrochloride
CID 132585199
4-bromo-1-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine
CID 28903349
1-N-[(4-methoxyphenyl)methyl]-4-methylbenzene-1,2-diamine;hydrochloride
CID 91826509
2-chloro-4-fluoro-N-[(3-methoxyphenyl)methyl]aniline
CID 28878919
2-N-(2-chloro-4-methoxyphenyl)-2-methylpropane-1,2-diamine
CID 115131658
N-[(4-aminophenyl)methyl]-4-methoxy-2,3-dimethylaniline
CID 115212367
2-N-[(4-methoxyphenyl)methyl]-4,5-dimethylbenzene-1,2-diamine
CID 115126731

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-2-chloro-4-methoxyaniline?
The IUPAC name of N-[(4-aminophenyl)methyl]-2-chloro-4-methoxyaniline (CID 115212369) is N-[(4-aminophenyl)methyl]-2-chloro-4-methoxyaniline.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-2-chloro-4-methoxyaniline?
The canonical SMILES for N-[(4-aminophenyl)methyl]-2-chloro-4-methoxyaniline is COc1ccc(NCc2ccc(N)cc2)c(Cl)c1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-2-chloro-4-methoxyaniline?
The InChIKey is DLHLRCLGTUDNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-18-12-6-7-14(13(15)8-12)17-9-10-2-4-11(16)5-3-10/h2-8,17H,9,16H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-2-chloro-4-methoxyaniline?
N-[(4-aminophenyl)methyl]-2-chloro-4-methoxyaniline has a molecular weight of 262.74 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-2-chloro-4-methoxyaniline is sourced from PubChem (CID 115212369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).