2-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine

C18H28FN — CID 114346488

IUPAC2-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1Cc1ccc(F)cc1C
InChIInChI=1S/C18H28FN/c1-4-9-20-18-8-5-13(2)10-16(18)12-15-6-7-17(19)11-14(15)3/h6-7,11,13,16,18,20H,4-5,8-10,12H2,1-3H3
InChIKeyJZRDSEKXTSSDPX-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.48
Rot. Bonds5

About 2-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine

2-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine (PubChem CID 114346488) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine
PubChem CID114346488
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC Name2-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1Cc1ccc(F)cc1C
InChIInChI=1S/C18H28FN/c1-4-9-20-18-8-5-13(2)10-16(18)12-15-6-7-17(19)11-14(15)3/h6-7,11,13,16,18,20H,4-5,8-10,12H2,1-3H3
InChIKeyJZRDSEKXTSSDPX-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]-4-methylcyclohexan-1-amine
CID 105372334
2-[(3-fluorophenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63403748
N-[[2-[(4-fluoro-2-methylphenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 114350178
2-[(2-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 63403747
2-[(2,4-difluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 62197668
3-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 64910087
N-[[2-[(5-fluoro-2-methylphenyl)methyl]-4-methylcyclohexyl]methyl]propan-1-amine
CID 105376317
2-[(5-ethylthiophen-2-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63403838
2-[(3,5-difluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 105404538
N-[2-(4-fluoro-2-methylphenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 114347799
3-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 114349423
2-[(4-fluoro-2-methylphenyl)methyl]-4-methylcyclohexan-1-one
CID 114346454

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine (CID 114346488) is 2-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine is CCCNC1CCC(C)CC1Cc1ccc(F)cc1C.
What is the InChIKey of 2-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine?
The InChIKey is JZRDSEKXTSSDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-4-9-20-18-8-5-13(2)10-16(18)12-15-6-7-17(19)11-14(15)3/h6-7,11,13,16,18,20H,4-5,8-10,12H2,1-3H3.
What are the key properties of 2-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine?
2-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine has a molecular weight of 277.43 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 114346488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).