4-[(4-amino-3,5-dimethylphenyl)-(3-chlorophenyl)methyl]-2,6-dimethylaniline

C23H25ClN2 — CID 102145996

IUPAC4-[(4-amino-3,5-dimethylphenyl)-(3-chlorophenyl)methyl]-2,6-dimethylaniline
SMILESCc1cc(C(c2cccc(Cl)c2)c2cc(C)c(N)c(C)c2)cc(C)c1N
InChIInChI=1S/C23H25ClN2/c1-13-8-18(9-14(2)22(13)25)21(17-6-5-7-20(24)12-17)19-10-15(3)23(26)16(4)11-19/h5-12,21H,25-26H2,1-4H3
InChIKeyCCPNVRRHZUUNPY-UHFFFAOYSA-N
MW364.92 g/mol
LogP5.92
Rot. Bonds3

About 4-[(4-amino-3,5-dimethylphenyl)-(3-chlorophenyl)methyl]-2,6-dimethylaniline

4-[(4-amino-3,5-dimethylphenyl)-(3-chlorophenyl)methyl]-2,6-dimethylaniline (PubChem CID 102145996) has the molecular formula C23H25ClN2 and a molecular weight of 364.92 g/mol. Its IUPAC name is 4-[(4-amino-3,5-dimethylphenyl)-(3-chlorophenyl)methyl]-2,6-dimethylaniline.

Molecular Properties

Compound Name4-[(4-amino-3,5-dimethylphenyl)-(3-chlorophenyl)methyl]-2,6-dimethylaniline
PubChem CID102145996
Molecular FormulaC23H25ClN2
Molecular Weight364.92 g/mol
Exact Mass364.17
IUPAC Name4-[(4-amino-3,5-dimethylphenyl)-(3-chlorophenyl)methyl]-2,6-dimethylaniline
SMILESCc1cc(C(c2cccc(Cl)c2)c2cc(C)c(N)c(C)c2)cc(C)c1N
InChIInChI=1S/C23H25ClN2/c1-13-8-18(9-14(2)22(13)25)21(17-6-5-7-20(24)12-17)19-10-15(3)23(26)16(4)11-19/h5-12,21H,25-26H2,1-4H3
InChIKeyCCPNVRRHZUUNPY-UHFFFAOYSA-N
XLogP5.92
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.92
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-[(2,6-dichlorophenyl)-(3,4,5-trimethylphenyl)methyl]-2,6-dimethylaniline
CID 147613699
1-chloro-3-(1-methoxyethyl)benzene
CID 19931374
2-[bromo-(3-chlorophenyl)methyl]-5-methylthiophene
CID 63436095
(2-chloro-4-methylphenyl)-(3-chlorophenyl)methanamine
CID 106857071
(3-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82822372
(3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62789986
(3-chlorophenyl)methanediol
CID 20679602
(1R)-1-(3-chlorophenyl)-2-methylpropan-1-ol
CID 93312224
(3-chlorophenyl)-(3,5-dichlorophenyl)methanamine
CID 115811895
(2R)-1,2-bis(3-chlorophenyl)-N,N'-dimethylethane-1,2-diamine
CID 166838557
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
(2R,3S)-3-(3-chlorophenyl)-2-methylbutan-1-ol
CID 165131162

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3,5-dimethylphenyl)-(3-chlorophenyl)methyl]-2,6-dimethylaniline?
The IUPAC name of 4-[(4-amino-3,5-dimethylphenyl)-(3-chlorophenyl)methyl]-2,6-dimethylaniline (CID 102145996) is 4-[(4-amino-3,5-dimethylphenyl)-(3-chlorophenyl)methyl]-2,6-dimethylaniline.
What is the SMILES notation for 4-[(4-amino-3,5-dimethylphenyl)-(3-chlorophenyl)methyl]-2,6-dimethylaniline?
The canonical SMILES for 4-[(4-amino-3,5-dimethylphenyl)-(3-chlorophenyl)methyl]-2,6-dimethylaniline is Cc1cc(C(c2cccc(Cl)c2)c2cc(C)c(N)c(C)c2)cc(C)c1N.
What is the InChIKey of 4-[(4-amino-3,5-dimethylphenyl)-(3-chlorophenyl)methyl]-2,6-dimethylaniline?
The InChIKey is CCPNVRRHZUUNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2/c1-13-8-18(9-14(2)22(13)25)21(17-6-5-7-20(24)12-17)19-10-15(3)23(26)16(4)11-19/h5-12,21H,25-26H2,1-4H3.
What are the key properties of 4-[(4-amino-3,5-dimethylphenyl)-(3-chlorophenyl)methyl]-2,6-dimethylaniline?
4-[(4-amino-3,5-dimethylphenyl)-(3-chlorophenyl)methyl]-2,6-dimethylaniline has a molecular weight of 364.92 g/mol, XLogP of 5.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3,5-dimethylphenyl)-(3-chlorophenyl)methyl]-2,6-dimethylaniline is sourced from PubChem (CID 102145996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).