2-(cyclohexylmethyl)-3-fluoro-2-methylpropan-1-amine

C11H22FN — CID 84719094

IUPAC2-(cyclohexylmethyl)-3-fluoro-2-methylpropan-1-amine
SMILESCC(CN)(CF)CC1CCCCC1
InChIInChI=1S/C11H22FN/c1-11(8-12,9-13)7-10-5-3-2-4-6-10/h10H,2-9,13H2,1H3
InChIKeyGHNFOHOQYZBNSM-UHFFFAOYSA-N
MW187.30 g/mol
LogP2.89
Rot. Bonds4

About 2-(cyclohexylmethyl)-3-fluoro-2-methylpropan-1-amine

2-(cyclohexylmethyl)-3-fluoro-2-methylpropan-1-amine (PubChem CID 84719094) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-3-fluoro-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-3-fluoro-2-methylpropan-1-amine
PubChem CID84719094
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name2-(cyclohexylmethyl)-3-fluoro-2-methylpropan-1-amine
SMILESCC(CN)(CF)CC1CCCCC1
InChIInChI=1S/C11H22FN/c1-11(8-12,9-13)7-10-5-3-2-4-6-10/h10H,2-9,13H2,1H3
InChIKeyGHNFOHOQYZBNSM-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(aminomethyl)-3-cyclobutyl-2-methylpropan-1-ol
CID 84716654
3-cyclohexyl-2-cyclopropyl-2-methylpropan-1-amine
CID 83149608
3-cyclopentyl-2,2-dimethylpropan-1-amine;hydrochloride
CID 122240185
2-amino-1-cyclohexylpropan-2-ol
CID 57094409
2-(cyclopentylmethyl)-2,3-dimethylbutan-1-amine
CID 83159555
2-fluoroethylcyclodecane
CID 70177675
N'-(cyclohexylmethyl)-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 62259886
2-(aminomethyl)-3-cycloheptyl-1,1,1-trifluoropropan-2-ol
CID 115043071
CID 22399719
CID 22399719
2-cyclopentyl-3-fluoro-2-methylpropan-1-amine
CID 83815658
2-(aminomethyl)-2-(cyclohexylmethyl)butanoic acid
CID 106487425
(3,3,3-trifluoro-2,2-dimethylpropyl)cyclopentane
CID 118360308

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-3-fluoro-2-methylpropan-1-amine?
The IUPAC name of 2-(cyclohexylmethyl)-3-fluoro-2-methylpropan-1-amine (CID 84719094) is 2-(cyclohexylmethyl)-3-fluoro-2-methylpropan-1-amine.
What is the SMILES notation for 2-(cyclohexylmethyl)-3-fluoro-2-methylpropan-1-amine?
The canonical SMILES for 2-(cyclohexylmethyl)-3-fluoro-2-methylpropan-1-amine is CC(CN)(CF)CC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethyl)-3-fluoro-2-methylpropan-1-amine?
The InChIKey is GHNFOHOQYZBNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-11(8-12,9-13)7-10-5-3-2-4-6-10/h10H,2-9,13H2,1H3.
What are the key properties of 2-(cyclohexylmethyl)-3-fluoro-2-methylpropan-1-amine?
2-(cyclohexylmethyl)-3-fluoro-2-methylpropan-1-amine has a molecular weight of 187.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-3-fluoro-2-methylpropan-1-amine is sourced from PubChem (CID 84719094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).