(4-butylcyclohexyl)-(2-fluorophenyl)methanamine

C17H26FN — CID 115827979

IUPAC(4-butylcyclohexyl)-(2-fluorophenyl)methanamine
SMILESCCCCC1CCC(C(N)c2ccccc2F)CC1
InChIInChI=1S/C17H26FN/c1-2-3-6-13-9-11-14(12-10-13)17(19)15-7-4-5-8-16(15)18/h4-5,7-8,13-14,17H,2-3,6,9-12,19H2,1H3
InChIKeyPEAJRROUNPUUFS-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.82
Rot. Bonds5

About (4-butylcyclohexyl)-(2-fluorophenyl)methanamine

(4-butylcyclohexyl)-(2-fluorophenyl)methanamine (PubChem CID 115827979) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is (4-butylcyclohexyl)-(2-fluorophenyl)methanamine.

Molecular Properties

Compound Name(4-butylcyclohexyl)-(2-fluorophenyl)methanamine
PubChem CID115827979
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC Name(4-butylcyclohexyl)-(2-fluorophenyl)methanamine
SMILESCCCCC1CCC(C(N)c2ccccc2F)CC1
InChIInChI=1S/C17H26FN/c1-2-3-6-13-9-11-14(12-10-13)17(19)15-7-4-5-8-16(15)18/h4-5,7-8,13-14,17H,2-3,6,9-12,19H2,1H3
InChIKeyPEAJRROUNPUUFS-UHFFFAOYSA-N
XLogP4.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-butylcyclohexyl)-(2,3-difluorophenyl)methanamine
CID 115861911
(4-butylcyclohexyl)-(2,5-difluorophenyl)methanamine
CID 43100104
(2-fluorophenyl)-(thian-4-yl)methanamine
CID 82391625
(2-chlorophenyl)-(4-propylcyclohexyl)methanamine
CID 65422989
1-(4-butylcyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 115859834
(3-bromo-2,6-difluorophenyl)-(4-butylcyclohexyl)methanamine
CID 106944640
(4-butylcyclohexyl)-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 65299288
1-[[4-(4-butylcyclohexyl)cyclohexyl]-[[4-(4-butylcyclohexyl)cyclohexyl]-(2,3-difluorophenyl)methoxy]methyl]-2,3-difluorobenzene
CID 57022347
(4-bromothiophen-3-yl)-(4-butylcyclohexyl)methanamine
CID 105010652
(4-butylcyclohexyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 63502788
(2-fluorophenyl)-(oxan-4-yl)methanamine
CID 63934888
3-bicyclo[3.1.0]hexanyl-(2-fluorophenyl)methanamine
CID 115828090

Frequently Asked Questions

What is the IUPAC name of (4-butylcyclohexyl)-(2-fluorophenyl)methanamine?
The IUPAC name of (4-butylcyclohexyl)-(2-fluorophenyl)methanamine (CID 115827979) is (4-butylcyclohexyl)-(2-fluorophenyl)methanamine.
What is the SMILES notation for (4-butylcyclohexyl)-(2-fluorophenyl)methanamine?
The canonical SMILES for (4-butylcyclohexyl)-(2-fluorophenyl)methanamine is CCCCC1CCC(C(N)c2ccccc2F)CC1.
What is the InChIKey of (4-butylcyclohexyl)-(2-fluorophenyl)methanamine?
The InChIKey is PEAJRROUNPUUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-2-3-6-13-9-11-14(12-10-13)17(19)15-7-4-5-8-16(15)18/h4-5,7-8,13-14,17H,2-3,6,9-12,19H2,1H3.
What are the key properties of (4-butylcyclohexyl)-(2-fluorophenyl)methanamine?
(4-butylcyclohexyl)-(2-fluorophenyl)methanamine has a molecular weight of 263.40 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylcyclohexyl)-(2-fluorophenyl)methanamine is sourced from PubChem (CID 115827979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).