N-[(3-chloro-2-fluorophenyl)-cyclohexylmethyl]ethanamine

C15H21ClFN — CID 64712638

IUPACN-[(3-chloro-2-fluorophenyl)-cyclohexylmethyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1F)C1CCCCC1
InChIInChI=1S/C15H21ClFN/c1-2-18-15(11-7-4-3-5-8-11)12-9-6-10-13(16)14(12)17/h6,9-11,15,18H,2-5,7-8H2,1H3
InChIKeyLWHMBLAWVKMWNX-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.71
Rot. Bonds4

About N-[(3-chloro-2-fluorophenyl)-cyclohexylmethyl]ethanamine

N-[(3-chloro-2-fluorophenyl)-cyclohexylmethyl]ethanamine (PubChem CID 64712638) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)-cyclohexylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)-cyclohexylmethyl]ethanamine
PubChem CID64712638
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC NameN-[(3-chloro-2-fluorophenyl)-cyclohexylmethyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1F)C1CCCCC1
InChIInChI=1S/C15H21ClFN/c1-2-18-15(11-7-4-3-5-8-11)12-9-6-10-13(16)14(12)17/h6,9-11,15,18H,2-5,7-8H2,1H3
InChIKeyLWHMBLAWVKMWNX-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-2-fluorophenyl)-cycloheptylmethyl]ethanamine
CID 106645693
N-[(3-chloro-2-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 64713292
N-[cyclobutyl-(2,3-dichlorophenyl)methyl]ethanamine
CID 64986692
2-(3-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
CID 82937282
N-[(3-chloro-2-fluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 64715701
N-[cyclohexyl-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492976
N-[cyclohexyl-(2,4-dichlorophenyl)methyl]ethanamine
CID 55195117
N-[(4-bromo-5-chloro-2-fluorophenyl)-cyclooctylmethyl]ethanamine
CID 105398992
N-[cyclohexyl-(2,3,4,5,6-pentafluorophenyl)methyl]ethanamine
CID 114981388
N-[2-(3-chloro-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine
CID 82936250
N-[cyclopentyl(naphthalen-1-yl)methyl]ethanamine
CID 55187374
N-[cyclooctyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 65018310

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)-cyclohexylmethyl]ethanamine?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)-cyclohexylmethyl]ethanamine (CID 64712638) is N-[(3-chloro-2-fluorophenyl)-cyclohexylmethyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)-cyclohexylmethyl]ethanamine?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)-cyclohexylmethyl]ethanamine is CCNC(c1cccc(Cl)c1F)C1CCCCC1.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)-cyclohexylmethyl]ethanamine?
The InChIKey is LWHMBLAWVKMWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-2-18-15(11-7-4-3-5-8-11)12-9-6-10-13(16)14(12)17/h6,9-11,15,18H,2-5,7-8H2,1H3.
What are the key properties of N-[(3-chloro-2-fluorophenyl)-cyclohexylmethyl]ethanamine?
N-[(3-chloro-2-fluorophenyl)-cyclohexylmethyl]ethanamine has a molecular weight of 269.79 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)-cyclohexylmethyl]ethanamine is sourced from PubChem (CID 64712638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).