4-(chloromethyl)-N-cyclohexyl-N,2-dimethylaniline

C15H22ClN — CID 55222027

IUPAC4-(chloromethyl)-N-cyclohexyl-N,2-dimethylaniline
SMILESCc1cc(CCl)ccc1N(C)C1CCCCC1
InChIInChI=1S/C15H22ClN/c1-12-10-13(11-16)8-9-15(12)17(2)14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3
InChIKeyHPLGCLIZVHCQDC-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.50
Rot. Bonds3

About 4-(chloromethyl)-N-cyclohexyl-N,2-dimethylaniline

4-(chloromethyl)-N-cyclohexyl-N,2-dimethylaniline (PubChem CID 55222027) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 4-(chloromethyl)-N-cyclohexyl-N,2-dimethylaniline.

Molecular Properties

Compound Name4-(chloromethyl)-N-cyclohexyl-N,2-dimethylaniline
PubChem CID55222027
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name4-(chloromethyl)-N-cyclohexyl-N,2-dimethylaniline
SMILESCc1cc(CCl)ccc1N(C)C1CCCCC1
InChIInChI=1S/C15H22ClN/c1-12-10-13(11-16)8-9-15(12)17(2)14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3
InChIKeyHPLGCLIZVHCQDC-UHFFFAOYSA-N
XLogP4.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-N-cyclobutyl-N,2-dimethylaniline
CID 107085198
N-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N-methylcycloheptanamine
CID 63552456
4-(2-aminopropyl)-N-cyclopentyl-N,2-dimethylaniline
CID 63786126
4-(chloromethyl)-N-ethyl-N,2-dimethylaniline
CID 62123149
5-(chloromethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine
CID 80627987
2-[4-(hydroxymethyl)-N,2-dimethylanilino]cyclohexan-1-ol
CID 102632814
4-(chloromethyl)-N,2-dimethyl-N-phenylaniline
CID 55221919
N-[5-chloro-2-(chloromethyl)phenyl]-N-methylcycloheptanamine
CID 114846425
4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-2-amine
CID 61255965
N-methyl-N-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]oxan-4-amine
CID 62121051
N,2-dimethyl-4-(methylaminomethyl)-N-(4-methylcyclohexyl)aniline
CID 62122416
N-[4-(chloromethyl)-2,6-difluorophenyl]-N-methylcycloheptanamine
CID 63540066

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-cyclohexyl-N,2-dimethylaniline?
The IUPAC name of 4-(chloromethyl)-N-cyclohexyl-N,2-dimethylaniline (CID 55222027) is 4-(chloromethyl)-N-cyclohexyl-N,2-dimethylaniline.
What is the SMILES notation for 4-(chloromethyl)-N-cyclohexyl-N,2-dimethylaniline?
The canonical SMILES for 4-(chloromethyl)-N-cyclohexyl-N,2-dimethylaniline is Cc1cc(CCl)ccc1N(C)C1CCCCC1.
What is the InChIKey of 4-(chloromethyl)-N-cyclohexyl-N,2-dimethylaniline?
The InChIKey is HPLGCLIZVHCQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-12-10-13(11-16)8-9-15(12)17(2)14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3.
What are the key properties of 4-(chloromethyl)-N-cyclohexyl-N,2-dimethylaniline?
4-(chloromethyl)-N-cyclohexyl-N,2-dimethylaniline has a molecular weight of 251.80 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-cyclohexyl-N,2-dimethylaniline is sourced from PubChem (CID 55222027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).