4-(chloromethyl)-N-(cyclopentylmethyl)-2,6-difluoro-N-methylaniline

C14H18ClF2N — CID 63632826

IUPAC4-(chloromethyl)-N-(cyclopentylmethyl)-2,6-difluoro-N-methylaniline
SMILESCN(CC1CCCC1)c1c(F)cc(CCl)cc1F
InChIInChI=1S/C14H18ClF2N/c1-18(9-10-4-2-3-5-10)14-12(16)6-11(8-15)7-13(14)17/h6-7,10H,2-5,8-9H2,1H3
InChIKeyHTXYAHMLHPBUOS-UHFFFAOYSA-N
MW273.75 g/mol
LogP4.33
Rot. Bonds4

About 4-(chloromethyl)-N-(cyclopentylmethyl)-2,6-difluoro-N-methylaniline

4-(chloromethyl)-N-(cyclopentylmethyl)-2,6-difluoro-N-methylaniline (PubChem CID 63632826) has the molecular formula C14H18ClF2N and a molecular weight of 273.75 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(cyclopentylmethyl)-2,6-difluoro-N-methylaniline.

Molecular Properties

Compound Name4-(chloromethyl)-N-(cyclopentylmethyl)-2,6-difluoro-N-methylaniline
PubChem CID63632826
Molecular FormulaC14H18ClF2N
Molecular Weight273.75 g/mol
Exact Mass273.11
IUPAC Name4-(chloromethyl)-N-(cyclopentylmethyl)-2,6-difluoro-N-methylaniline
SMILESCN(CC1CCCC1)c1c(F)cc(CCl)cc1F
InChIInChI=1S/C14H18ClF2N/c1-18(9-10-4-2-3-5-10)14-12(16)6-11(8-15)7-13(14)17/h6-7,10H,2-5,8-9H2,1H3
InChIKeyHTXYAHMLHPBUOS-UHFFFAOYSA-N
XLogP4.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.75
LogP ≤ 54.33
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-[cyclobutylmethyl(methyl)amino]-3,5-difluorophenyl]methanol
CID 63077755
4-(bromomethyl)-N-(cyclohexylmethyl)-2,6-difluoro-N-methylaniline
CID 107081456
4-(chloromethyl)-2,6-difluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79319880
N-[4-(chloromethyl)-2,6-difluorophenyl]-N-methylcycloheptanamine
CID 63540066
4-[cyclohexylmethyl(methyl)amino]-3,5-difluorobenzenecarbothioamide
CID 81286824
4-(chloromethyl)-N-cyclohexyl-N-ethyl-2,6-difluoroaniline
CID 63540811
4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 63783626
N'-[4-(chloromethyl)-2,6-difluorophenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63699002
3-[4-[cyclopentylmethyl(methyl)amino]-3,5-difluorophenyl]prop-2-enoic acid
CID 77002645
4-[cyclopropylmethyl(methyl)amino]-3,5-difluorobenzaldehyde
CID 63052736
4-(2-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 63783457
4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 63631090

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(cyclopentylmethyl)-2,6-difluoro-N-methylaniline?
The IUPAC name of 4-(chloromethyl)-N-(cyclopentylmethyl)-2,6-difluoro-N-methylaniline (CID 63632826) is 4-(chloromethyl)-N-(cyclopentylmethyl)-2,6-difluoro-N-methylaniline.
What is the SMILES notation for 4-(chloromethyl)-N-(cyclopentylmethyl)-2,6-difluoro-N-methylaniline?
The canonical SMILES for 4-(chloromethyl)-N-(cyclopentylmethyl)-2,6-difluoro-N-methylaniline is CN(CC1CCCC1)c1c(F)cc(CCl)cc1F.
What is the InChIKey of 4-(chloromethyl)-N-(cyclopentylmethyl)-2,6-difluoro-N-methylaniline?
The InChIKey is HTXYAHMLHPBUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF2N/c1-18(9-10-4-2-3-5-10)14-12(16)6-11(8-15)7-13(14)17/h6-7,10H,2-5,8-9H2,1H3.
What are the key properties of 4-(chloromethyl)-N-(cyclopentylmethyl)-2,6-difluoro-N-methylaniline?
4-(chloromethyl)-N-(cyclopentylmethyl)-2,6-difluoro-N-methylaniline has a molecular weight of 273.75 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(cyclopentylmethyl)-2,6-difluoro-N-methylaniline is sourced from PubChem (CID 63632826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).