2-chloro-N-decyl-4-methylaniline

C17H28ClN — CID 63489010

IUPAC2-chloro-N-decyl-4-methylaniline
SMILESCCCCCCCCCCNc1ccc(C)cc1Cl
InChIInChI=1S/C17H28ClN/c1-3-4-5-6-7-8-9-10-13-19-17-12-11-15(2)14-16(17)18/h11-12,14,19H,3-10,13H2,1-2H3
InChIKeyYACRTOSNUHMMSL-UHFFFAOYSA-N
MW281.87 g/mol
LogP6.20
Rot. Bonds10

About 2-chloro-N-decyl-4-methylaniline

2-chloro-N-decyl-4-methylaniline (PubChem CID 63489010) has the molecular formula C17H28ClN and a molecular weight of 281.87 g/mol. Its IUPAC name is 2-chloro-N-decyl-4-methylaniline.

Molecular Properties

Compound Name2-chloro-N-decyl-4-methylaniline
PubChem CID63489010
Molecular FormulaC17H28ClN
Molecular Weight281.87 g/mol
Exact Mass281.19
IUPAC Name2-chloro-N-decyl-4-methylaniline
SMILESCCCCCCCCCCNc1ccc(C)cc1Cl
InChIInChI=1S/C17H28ClN/c1-3-4-5-6-7-8-9-10-13-19-17-12-11-15(2)14-16(17)18/h11-12,14,19H,3-10,13H2,1-2H3
InChIKeyYACRTOSNUHMMSL-UHFFFAOYSA-N
XLogP6.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.87
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-decylaniline
CID 63489638
2-chloro-4-iodo-N-octylaniline
CID 63445374
2,5-dichloro-4-methyl-N-octylaniline
CID 113445759
N'-(2-chloro-4-methylphenyl)ethane-1,2-diamine
CID 82504176
4-chloro-2-fluoro-N-heptylaniline
CID 43716552
1-N-butyl-2-chlorobenzene-1,4-diamine
CID 20565180
N-(2-chloro-4-methylphenyl)-N',N'-diethylethane-1,2-diamine
CID 28967872
N-[(2-chloro-4-methylphenyl)methyl]decan-1-amine
CID 106862878
N-butyl-2-chloro-4-iodoaniline
CID 43733829
4-bromo-N-heptyl-2-methylaniline
CID 43129195
3-chloro-2-methyl-N-octylaniline
CID 43129192
N-hexyl-2-(2-methoxyethoxy)-4-methylaniline
CID 54865095

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-decyl-4-methylaniline?
The IUPAC name of 2-chloro-N-decyl-4-methylaniline (CID 63489010) is 2-chloro-N-decyl-4-methylaniline.
What is the SMILES notation for 2-chloro-N-decyl-4-methylaniline?
The canonical SMILES for 2-chloro-N-decyl-4-methylaniline is CCCCCCCCCCNc1ccc(C)cc1Cl.
What is the InChIKey of 2-chloro-N-decyl-4-methylaniline?
The InChIKey is YACRTOSNUHMMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN/c1-3-4-5-6-7-8-9-10-13-19-17-12-11-15(2)14-16(17)18/h11-12,14,19H,3-10,13H2,1-2H3.
What are the key properties of 2-chloro-N-decyl-4-methylaniline?
2-chloro-N-decyl-4-methylaniline has a molecular weight of 281.87 g/mol, XLogP of 6.20, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-decyl-4-methylaniline is sourced from PubChem (CID 63489010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).