N-[(4-chlorophenyl)methyl]-N-methyl-2-(propylaminomethyl)aniline

C18H23ClN2 — CID 63552832

IUPACN-[(4-chlorophenyl)methyl]-N-methyl-2-(propylaminomethyl)aniline
SMILESCCCNCc1ccccc1N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H23ClN2/c1-3-12-20-13-16-6-4-5-7-18(16)21(2)14-15-8-10-17(19)11-9-15/h4-11,20H,3,12-14H2,1-2H3
InChIKeyTZGZLWRHOHHZKM-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.48
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-N-methyl-2-(propylaminomethyl)aniline

N-[(4-chlorophenyl)methyl]-N-methyl-2-(propylaminomethyl)aniline (PubChem CID 63552832) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-methyl-2-(propylaminomethyl)aniline.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-methyl-2-(propylaminomethyl)aniline
PubChem CID63552832
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC NameN-[(4-chlorophenyl)methyl]-N-methyl-2-(propylaminomethyl)aniline
SMILESCCCNCc1ccccc1N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H23ClN2/c1-3-12-20-13-16-6-4-5-7-18(16)21(2)14-15-8-10-17(19)11-9-15/h4-11,20H,3,12-14H2,1-2H3
InChIKeyTZGZLWRHOHHZKM-UHFFFAOYSA-N
XLogP4.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[(4-methylphenyl)methyl]-2-(propylaminomethyl)aniline
CID 43281348
N-[(4-chlorophenyl)methyl]-N-methyl-4-(propylaminomethyl)pyridin-3-amine
CID 105073646
2-(chloromethyl)-N-[(4-chlorophenyl)methyl]-N-methylaniline
CID 63540989
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propylaminomethyl)aniline
CID 43526465
N-(4-ethylphenyl)-N-methyl-2-(propylaminomethyl)aniline
CID 63551774
N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-N-methylaniline
CID 61416767
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716575
2-[(4-chlorophenyl)methyl-methylamino]benzaldehyde
CID 61415174
4-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylaminomethyl)aniline
CID 114850346
5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 114847739
N-(3-methoxypropyl)-N-methyl-2-(propylaminomethyl)aniline
CID 55141079
2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]ethanol
CID 114848634

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-2-(propylaminomethyl)aniline?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-2-(propylaminomethyl)aniline (CID 63552832) is N-[(4-chlorophenyl)methyl]-N-methyl-2-(propylaminomethyl)aniline.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-methyl-2-(propylaminomethyl)aniline?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-methyl-2-(propylaminomethyl)aniline is CCCNCc1ccccc1N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-methyl-2-(propylaminomethyl)aniline?
The InChIKey is TZGZLWRHOHHZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-3-12-20-13-16-6-4-5-7-18(16)21(2)14-15-8-10-17(19)11-9-15/h4-11,20H,3,12-14H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-methyl-2-(propylaminomethyl)aniline?
N-[(4-chlorophenyl)methyl]-N-methyl-2-(propylaminomethyl)aniline has a molecular weight of 302.85 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-methyl-2-(propylaminomethyl)aniline is sourced from PubChem (CID 63552832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).