N-[(2-chloro-4-methylphenyl)methyl]decan-1-amine

C18H30ClN — CID 106862878

IUPACN-[(2-chloro-4-methylphenyl)methyl]decan-1-amine
SMILESCCCCCCCCCCNCc1ccc(C)cc1Cl
InChIInChI=1S/C18H30ClN/c1-3-4-5-6-7-8-9-10-13-20-15-17-12-11-16(2)14-18(17)19/h11-12,14,20H,3-10,13,15H2,1-2H3
InChIKeyARFVDDMIFBKTDZ-UHFFFAOYSA-N
MW295.90 g/mol
LogP5.88
Rot. Bonds11

About N-[(2-chloro-4-methylphenyl)methyl]decan-1-amine

N-[(2-chloro-4-methylphenyl)methyl]decan-1-amine (PubChem CID 106862878) has the molecular formula C18H30ClN and a molecular weight of 295.90 g/mol. Its IUPAC name is N-[(2-chloro-4-methylphenyl)methyl]decan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-methylphenyl)methyl]decan-1-amine
PubChem CID106862878
Molecular FormulaC18H30ClN
Molecular Weight295.90 g/mol
Exact Mass295.21
IUPAC NameN-[(2-chloro-4-methylphenyl)methyl]decan-1-amine
SMILESCCCCCCCCCCNCc1ccc(C)cc1Cl
InChIInChI=1S/C18H30ClN/c1-3-4-5-6-7-8-9-10-13-20-15-17-12-11-16(2)14-18(17)19/h11-12,14,20H,3-10,13,15H2,1-2H3
InChIKeyARFVDDMIFBKTDZ-UHFFFAOYSA-N
XLogP5.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.90
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2-chloro-4-methylphenyl)methyl]decan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,4-dichlorophenyl)methyl]octadecan-1-amine
CID 20562206
N-[(2,4-dichlorophenyl)methyl]decan-1-amine
CID 20562210
N-[(2,4-dichlorophenyl)methyl]pentan-1-amine
CID 4716694
N'-[(2-chloro-4-methylphenyl)methyl]-N-methylpropane-1,3-diamine
CID 106861235
2-bromo-N-[(2-chloro-4-methylphenyl)methyl]ethanamine
CID 106869920
N-[(2,4-dichlorophenyl)methyl]heptan-1-amine;oxalic acid
CID 163328902
N-[(2-fluoro-5-methylphenyl)methyl]pentan-1-amine
CID 115632172
4-[(2-chloro-4-methylphenyl)methylamino]butanamide
CID 106862371
2-chloro-N-decyl-4-methylaniline
CID 63489010
1-(2-chloro-4-methylphenyl)-N-[(2-ethylphenyl)methyl]methanamine
CID 106862733
3-chloro-4-[(pentylamino)methyl]benzamide
CID 102663787
2-[3-[(2-chloro-4-methylphenyl)methylamino]propoxy]ethanol
CID 106309804

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]decan-1-amine?
The IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]decan-1-amine (CID 106862878) is N-[(2-chloro-4-methylphenyl)methyl]decan-1-amine.
What is the SMILES notation for N-[(2-chloro-4-methylphenyl)methyl]decan-1-amine?
The canonical SMILES for N-[(2-chloro-4-methylphenyl)methyl]decan-1-amine is CCCCCCCCCCNCc1ccc(C)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-methylphenyl)methyl]decan-1-amine?
The InChIKey is ARFVDDMIFBKTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClN/c1-3-4-5-6-7-8-9-10-13-20-15-17-12-11-16(2)14-18(17)19/h11-12,14,20H,3-10,13,15H2,1-2H3.
What are the key properties of N-[(2-chloro-4-methylphenyl)methyl]decan-1-amine?
N-[(2-chloro-4-methylphenyl)methyl]decan-1-amine has a molecular weight of 295.90 g/mol, XLogP of 5.88, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methylphenyl)methyl]decan-1-amine is sourced from PubChem (CID 106862878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).