N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]-4-methylcyclohexan-1-amine

C17H26FN — CID 105372334

IUPACN-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1Cc1cc(F)ccc1C
InChIInChI=1S/C17H26FN/c1-4-19-17-8-5-12(2)9-15(17)10-14-11-16(18)7-6-13(14)3/h6-7,11-12,15,17,19H,4-5,8-10H2,1-3H3
InChIKeyDCRMXCGXSIMSFY-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.09
Rot. Bonds4

About N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]-4-methylcyclohexan-1-amine

N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]-4-methylcyclohexan-1-amine (PubChem CID 105372334) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]-4-methylcyclohexan-1-amine
PubChem CID105372334
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC NameN-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1Cc1cc(F)ccc1C
InChIInChI=1S/C17H26FN/c1-4-19-17-8-5-12(2)9-15(17)10-14-11-16(18)7-6-13(14)3/h6-7,11-12,15,17,19H,4-5,8-10H2,1-3H3
InChIKeyDCRMXCGXSIMSFY-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 63403747
2-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 114346488
N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
CID 105372322
N-[[2-[(5-fluoro-2-methylphenyl)methyl]-4-methylcyclohexyl]methyl]propan-1-amine
CID 105376317
2-[(3,5-difluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 105404538
2-[(3-chloro-2-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 102856558
2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 79701432
2-[(3-fluorophenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63403748
3-[(2-chloro-5-fluorophenyl)methyl]-N-ethyl-2-methylcyclopentan-1-amine
CID 102620493
2-[(4-bromothiophen-2-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 63403222
N-ethyl-2-[(2-fluoro-3-nitrophenyl)methyl]-4-methylcyclohexan-1-amine
CID 107350047
2-(1-benzothiophen-3-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 63737228

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]-4-methylcyclohexan-1-amine?
The IUPAC name of N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]-4-methylcyclohexan-1-amine (CID 105372334) is N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]-4-methylcyclohexan-1-amine is CCNC1CCC(C)CC1Cc1cc(F)ccc1C.
What is the InChIKey of N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]-4-methylcyclohexan-1-amine?
The InChIKey is DCRMXCGXSIMSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-4-19-17-8-5-12(2)9-15(17)10-14-11-16(18)7-6-13(14)3/h6-7,11-12,15,17,19H,4-5,8-10H2,1-3H3.
What are the key properties of N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]-4-methylcyclohexan-1-amine?
N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]-4-methylcyclohexan-1-amine has a molecular weight of 263.40 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 105372334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).