4-[(4-chlorophenyl)-(propylamino)methyl]-N,N-dimethylaniline

C18H23ClN2 — CID 105076350

IUPAC4-[(4-chlorophenyl)-(propylamino)methyl]-N,N-dimethylaniline
SMILESCCCNC(c1ccc(Cl)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C18H23ClN2/c1-4-13-20-18(14-5-9-16(19)10-6-14)15-7-11-17(12-8-15)21(2)3/h5-12,18,20H,4,13H2,1-3H3
InChIKeyUHUZASIANZJROC-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.49
Rot. Bonds6

About 4-[(4-chlorophenyl)-(propylamino)methyl]-N,N-dimethylaniline

4-[(4-chlorophenyl)-(propylamino)methyl]-N,N-dimethylaniline (PubChem CID 105076350) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)-(propylamino)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(4-chlorophenyl)-(propylamino)methyl]-N,N-dimethylaniline
PubChem CID105076350
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name4-[(4-chlorophenyl)-(propylamino)methyl]-N,N-dimethylaniline
SMILESCCCNC(c1ccc(Cl)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C18H23ClN2/c1-4-13-20-18(14-5-9-16(19)10-6-14)15-7-11-17(12-8-15)21(2)3/h5-12,18,20H,4,13H2,1-3H3
InChIKeyUHUZASIANZJROC-UHFFFAOYSA-N
XLogP4.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

4-[(5-chlorothiophen-2-yl)-(propylamino)methyl]-N,N-dimethylaniline
CID 105173433
N,N-dimethyl-4-[(6-methyl-3-pyridinyl)-(propylamino)methyl]aniline
CID 105146242
N-[(4-chlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 62489847
N,N-dimethyl-4-[(3-methylthiophen-2-yl)-(propylamino)methyl]aniline
CID 105166487
N-[(4-chlorophenyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302959
4-[1-(4-chlorophenyl)ethyl]-N,N-dimethylaniline
CID 58923332
N,N-dimethyl-4-[1-(propylamino)prop-2-ynyl]aniline
CID 105158304
N-[(4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 43494797
4-[(4-bromo-1-methylpyrazol-5-yl)-(propylamino)methyl]-N,N-dimethylaniline
CID 105189780
N-[(3-bromo-4-methoxyphenyl)-(4-chlorophenyl)methyl]propan-1-amine
CID 43493876
N-[bis(4-fluorophenyl)methyl]propan-1-amine
CID 43389379
N-[(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63414114

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)-(propylamino)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(4-chlorophenyl)-(propylamino)methyl]-N,N-dimethylaniline (CID 105076350) is 4-[(4-chlorophenyl)-(propylamino)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(4-chlorophenyl)-(propylamino)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(4-chlorophenyl)-(propylamino)methyl]-N,N-dimethylaniline is CCCNC(c1ccc(Cl)cc1)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)-(propylamino)methyl]-N,N-dimethylaniline?
The InChIKey is UHUZASIANZJROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-4-13-20-18(14-5-9-16(19)10-6-14)15-7-11-17(12-8-15)21(2)3/h5-12,18,20H,4,13H2,1-3H3.
What are the key properties of 4-[(4-chlorophenyl)-(propylamino)methyl]-N,N-dimethylaniline?
4-[(4-chlorophenyl)-(propylamino)methyl]-N,N-dimethylaniline has a molecular weight of 302.85 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)-(propylamino)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 105076350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).