4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2-methylaniline

C16H19ClN2 — CID 5209751

IUPAC4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2-methylaniline
SMILESCc1cc(Cl)ccc1NCc1ccc(N(C)C)cc1
InChIInChI=1S/C16H19ClN2/c1-12-10-14(17)6-9-16(12)18-11-13-4-7-15(8-5-13)19(2)3/h4-10,18H,11H2,1-3H3
InChIKeyXXGAEGWOGYDBGW-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.33
Rot. Bonds4

About 4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2-methylaniline

4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2-methylaniline (PubChem CID 5209751) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2-methylaniline.

Molecular Properties

Compound Name4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2-methylaniline
PubChem CID5209751
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2-methylaniline
SMILESCc1cc(Cl)ccc1NCc1ccc(N(C)C)cc1
InChIInChI=1S/C16H19ClN2/c1-12-10-14(17)6-9-16(12)18-11-13-4-7-15(8-5-13)19(2)3/h4-10,18H,11H2,1-3H3
InChIKeyXXGAEGWOGYDBGW-UHFFFAOYSA-N
XLogP4.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-[[4-(dimethylamino)phenyl]methylamino]benzonitrile
CID 133302013
4-chloro-N-[(3,4-dichlorophenyl)methyl]-2-methylaniline
CID 28545153
1-N-[(2-bromo-5-chlorophenyl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 66158897
4-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline
CID 63420408
4-[(4-chloro-2-methylanilino)methyl]benzamide
CID 43234717
N-[(3-bromo-4-fluorophenyl)methyl]-4-chloro-2-methylaniline
CID 30059054
1-N-[(4-bromo-3-fluorophenyl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 81436141
1-N-[(2,6-dichlorophenyl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 43676987
2,6-dibromo-4-[(4-chloro-2-methylanilino)methyl]phenol
CID 107740487
4-N,4-N,2-trimethyl-1-N-(pyrimidin-5-ylmethyl)benzene-1,4-diamine
CID 62760453
4-chloro-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 66399769
4-chloro-2-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43766570

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2-methylaniline?
The IUPAC name of 4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2-methylaniline (CID 5209751) is 4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2-methylaniline.
What is the SMILES notation for 4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2-methylaniline?
The canonical SMILES for 4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2-methylaniline is Cc1cc(Cl)ccc1NCc1ccc(N(C)C)cc1.
What is the InChIKey of 4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2-methylaniline?
The InChIKey is XXGAEGWOGYDBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-12-10-14(17)6-9-16(12)18-11-13-4-7-15(8-5-13)19(2)3/h4-10,18H,11H2,1-3H3.
What are the key properties of 4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2-methylaniline?
4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2-methylaniline has a molecular weight of 274.80 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2-methylaniline is sourced from PubChem (CID 5209751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).