N-[(4-aminophenyl)methyl]-4-chloro-2-methoxy-N,5-dimethylaniline

C16H19ClN2O — CID 39396844

IUPACN-[(4-aminophenyl)methyl]-4-chloro-2-methoxy-N,5-dimethylaniline
SMILESCOc1cc(Cl)c(C)cc1N(C)Cc1ccc(N)cc1
InChIInChI=1S/C16H19ClN2O/c1-11-8-15(16(20-3)9-14(11)17)19(2)10-12-4-6-13(18)7-5-12/h4-9H,10,18H2,1-3H3
InChIKeyZPYJYTNBTLSIMU-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.88
Rot. Bonds4

About N-[(4-aminophenyl)methyl]-4-chloro-2-methoxy-N,5-dimethylaniline

N-[(4-aminophenyl)methyl]-4-chloro-2-methoxy-N,5-dimethylaniline (PubChem CID 39396844) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-4-chloro-2-methoxy-N,5-dimethylaniline.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-4-chloro-2-methoxy-N,5-dimethylaniline
PubChem CID39396844
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-[(4-aminophenyl)methyl]-4-chloro-2-methoxy-N,5-dimethylaniline
SMILESCOc1cc(Cl)c(C)cc1N(C)Cc1ccc(N)cc1
InChIInChI=1S/C16H19ClN2O/c1-11-8-15(16(20-3)9-14(11)17)19(2)10-12-4-6-13(18)7-5-12/h4-9H,10,18H2,1-3H3
InChIKeyZPYJYTNBTLSIMU-UHFFFAOYSA-N
XLogP3.88
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-aminophenyl)methyl]-2,4-dimethoxy-N-methylaniline
CID 39371673
1-N-(5-chloro-2-methoxy-4-methylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196394
2-chloro-4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylbenzene-1,4-diamine
CID 115554670
3-N-(5-chloro-2-methoxy-4-methylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119542
4-(4-chloro-2-methoxy-5-methylphenyl)aniline
CID 82039615
1-(5-chloro-2-methoxy-N,4-dimethylanilino)propan-2-one
CID 115234566
N'-(5-chloro-2-methoxy-4-methylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 96674694
4-(5-chloro-2-methoxy-N,4-dimethylanilino)butan-2-one
CID 115235517
2,6-dichloro-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbenzene-1,4-diamine
CID 106890065
methyl 5-amino-2-[(4-chlorophenyl)methyl-methylamino]benzoate
CID 61415055
3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-benzyl-N-methylpropanamide
CID 113134443
N-[(3-aminophenyl)methyl]-2-methoxy-N,5-dimethylaniline
CID 39358275

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-4-chloro-2-methoxy-N,5-dimethylaniline?
The IUPAC name of N-[(4-aminophenyl)methyl]-4-chloro-2-methoxy-N,5-dimethylaniline (CID 39396844) is N-[(4-aminophenyl)methyl]-4-chloro-2-methoxy-N,5-dimethylaniline.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-4-chloro-2-methoxy-N,5-dimethylaniline?
The canonical SMILES for N-[(4-aminophenyl)methyl]-4-chloro-2-methoxy-N,5-dimethylaniline is COc1cc(Cl)c(C)cc1N(C)Cc1ccc(N)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-4-chloro-2-methoxy-N,5-dimethylaniline?
The InChIKey is ZPYJYTNBTLSIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-11-8-15(16(20-3)9-14(11)17)19(2)10-12-4-6-13(18)7-5-12/h4-9H,10,18H2,1-3H3.
What are the key properties of N-[(4-aminophenyl)methyl]-4-chloro-2-methoxy-N,5-dimethylaniline?
N-[(4-aminophenyl)methyl]-4-chloro-2-methoxy-N,5-dimethylaniline has a molecular weight of 290.79 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-4-chloro-2-methoxy-N,5-dimethylaniline is sourced from PubChem (CID 39396844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).