1-[(2-chloro-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine

C14H19ClFN — CID 102617497

IUPAC1-[(2-chloro-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(Cc2cc(F)ccc2Cl)C1
InChIInChI=1S/C14H19ClFN/c1-10-3-2-6-14(17,8-10)9-11-7-12(16)4-5-13(11)15/h4-5,7,10H,2-3,6,8-9,17H2,1H3
InChIKeyWVOAVGPQDIRRJM-UHFFFAOYSA-N
MW255.76 g/mol
LogP3.93
Rot. Bonds2

About 1-[(2-chloro-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine

1-[(2-chloro-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine (PubChem CID 102617497) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is 1-[(2-chloro-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(2-chloro-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
PubChem CID102617497
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name1-[(2-chloro-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(Cc2cc(F)ccc2Cl)C1
InChIInChI=1S/C14H19ClFN/c1-10-3-2-6-14(17,8-10)9-11-7-12(16)4-5-13(11)15/h4-5,7,10H,2-3,6,8-9,17H2,1H3
InChIKeyWVOAVGPQDIRRJM-UHFFFAOYSA-N
XLogP3.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-chloro-5-fluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 102617560
1-[(2-chloro-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65080210
1-[(2,5-difluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 64513632
1-[(4-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 60798898
1-[(2,4-difluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65080003
1-[(2-chloro-5-fluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 102617496
1-[(3-bromo-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 79702899
1-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 64514094
4-[(2-chloro-5-fluorophenyl)methyl]oxan-4-amine
CID 102617544
2-(2-chloro-5-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 102619404
3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-ol
CID 102617388
1-[(4-chloro-3-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 114012591

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine?
The IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine (CID 102617497) is 1-[(2-chloro-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[(2-chloro-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-[(2-chloro-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine is CC1CCCC(N)(Cc2cc(F)ccc2Cl)C1.
What is the InChIKey of 1-[(2-chloro-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine?
The InChIKey is WVOAVGPQDIRRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-10-3-2-6-14(17,8-10)9-11-7-12(16)4-5-13(11)15/h4-5,7,10H,2-3,6,8-9,17H2,1H3.
What are the key properties of 1-[(2-chloro-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine?
1-[(2-chloro-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine has a molecular weight of 255.76 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 102617497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).