N-[(2-chlorophenyl)-(4,4-difluorocyclohexyl)methyl]ethanamine

C15H20ClF2N — CID 105099639

IUPACN-[(2-chlorophenyl)-(4,4-difluorocyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccccc1Cl)C1CCC(F)(F)CC1
InChIInChI=1S/C15H20ClF2N/c1-2-19-14(12-5-3-4-6-13(12)16)11-7-9-15(17,18)10-8-11/h3-6,11,14,19H,2,7-10H2,1H3
InChIKeyXHQSTEHVILFSNZ-UHFFFAOYSA-N
MW287.78 g/mol
LogP4.82
Rot. Bonds4

About N-[(2-chlorophenyl)-(4,4-difluorocyclohexyl)methyl]ethanamine

N-[(2-chlorophenyl)-(4,4-difluorocyclohexyl)methyl]ethanamine (PubChem CID 105099639) has the molecular formula C15H20ClF2N and a molecular weight of 287.78 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-(4,4-difluorocyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-(4,4-difluorocyclohexyl)methyl]ethanamine
PubChem CID105099639
Molecular FormulaC15H20ClF2N
Molecular Weight287.78 g/mol
Exact Mass287.13
IUPAC NameN-[(2-chlorophenyl)-(4,4-difluorocyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccccc1Cl)C1CCC(F)(F)CC1
InChIInChI=1S/C15H20ClF2N/c1-2-19-14(12-5-3-4-6-13(12)16)11-7-9-15(17,18)10-8-11/h3-6,11,14,19H,2,7-10H2,1H3
InChIKeyXHQSTEHVILFSNZ-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.78
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chlorophenyl)-cyclopropylmethyl]propan-1-amine
CID 61030394
2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
CID 105122810
N-[cyclobutyl-(2,3-dichlorophenyl)methyl]ethanamine
CID 64986692
N-[(3-chloro-2-fluorophenyl)-cyclohexylmethyl]ethanamine
CID 64712638
N-[(2-chlorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 79908708
N-[(4-bromothiophen-3-yl)-(4,4-difluorocyclohexyl)methyl]ethanamine
CID 105166720
N-[(2-chlorophenyl)-(2-ethylcyclohexyl)methyl]ethanamine
CID 63863652
N-[(2-chlorophenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80627512
N-[(2-chlorophenyl)-(4-propylcyclohexyl)methyl]propan-1-amine
CID 65425524
[(4,4-difluorocyclohexyl)-(2-propoxyphenyl)methyl]hydrazine
CID 105334414
N-[(3,4-dichlorophenyl)-(4,4-dimethylcyclohexyl)methyl]ethanamine
CID 65392424
N-[(2,3-dichlorophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine
CID 65411327

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-(4,4-difluorocyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(2-chlorophenyl)-(4,4-difluorocyclohexyl)methyl]ethanamine (CID 105099639) is N-[(2-chlorophenyl)-(4,4-difluorocyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chlorophenyl)-(4,4-difluorocyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(2-chlorophenyl)-(4,4-difluorocyclohexyl)methyl]ethanamine is CCNC(c1ccccc1Cl)C1CCC(F)(F)CC1.
What is the InChIKey of N-[(2-chlorophenyl)-(4,4-difluorocyclohexyl)methyl]ethanamine?
The InChIKey is XHQSTEHVILFSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF2N/c1-2-19-14(12-5-3-4-6-13(12)16)11-7-9-15(17,18)10-8-11/h3-6,11,14,19H,2,7-10H2,1H3.
What are the key properties of N-[(2-chlorophenyl)-(4,4-difluorocyclohexyl)methyl]ethanamine?
N-[(2-chlorophenyl)-(4,4-difluorocyclohexyl)methyl]ethanamine has a molecular weight of 287.78 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-(4,4-difluorocyclohexyl)methyl]ethanamine is sourced from PubChem (CID 105099639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).