N-[(4-ethylcyclohexyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine

C19H28FN — CID 63451775

IUPACN-[(4-ethylcyclohexyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine
SMILESCCC1CCC(CNC2CC(c3cccc(F)c3)C2)CC1
InChIInChI=1S/C19H28FN/c1-2-14-6-8-15(9-7-14)13-21-19-11-17(12-19)16-4-3-5-18(20)10-16/h3-5,10,14-15,17,19,21H,2,6-9,11-13H2,1H3
InChIKeyFNIOTSQAQMVVEW-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.88
Rot. Bonds5

About N-[(4-ethylcyclohexyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine

N-[(4-ethylcyclohexyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine (PubChem CID 63451775) has the molecular formula C19H28FN and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine
PubChem CID63451775
Molecular FormulaC19H28FN
Molecular Weight289.44 g/mol
Exact Mass289.22
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine
SMILESCCC1CCC(CNC2CC(c3cccc(F)c3)C2)CC1
InChIInChI=1S/C19H28FN/c1-2-14-6-8-15(9-7-14)13-21-19-11-17(12-19)16-4-3-5-18(20)10-16/h3-5,10,14-15,17,19,21H,2,6-9,11-13H2,1H3
InChIKeyFNIOTSQAQMVVEW-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclobutylmethyl)-5-(3-fluorophenyl)-1-methylpiperidin-3-amine
CID 83996930
3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine
CID 43632505
N-(2-ethoxy-2-methylpropyl)-3-(3-fluorophenyl)cyclobutan-1-amine
CID 114940872
(4aR,6R,8aR)-2-ethyl-6-(3-fluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809252
3-(3-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine
CID 116643185
N-[3-(3-fluorophenyl)cyclobutyl]hydroxylamine
CID 82686213
3-[[3-(3-fluorophenyl)cyclobutyl]amino]propanenitrile
CID 43634823
N'-[3-(3-fluorophenyl)cyclobutyl]butane-1,4-diamine
CID 60895802
3-(3-fluorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine
CID 54954901
N-[(3-ethyl-2-pyridinyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine
CID 82733626
N-(cyclopentylmethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
CID 83997929
3-ethyl-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 43633887

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine (CID 63451775) is N-[(4-ethylcyclohexyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine is CCC1CCC(CNC2CC(c3cccc(F)c3)C2)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine?
The InChIKey is FNIOTSQAQMVVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN/c1-2-14-6-8-15(9-7-14)13-21-19-11-17(12-19)16-4-3-5-18(20)10-16/h3-5,10,14-15,17,19,21H,2,6-9,11-13H2,1H3.
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine?
N-[(4-ethylcyclohexyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine has a molecular weight of 289.44 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine is sourced from PubChem (CID 63451775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).