(4-butylcyclohexyl)-(4-fluoro-3,5-dimethylphenyl)methanamine

C19H30FN — CID 65299288

IUPAC(4-butylcyclohexyl)-(4-fluoro-3,5-dimethylphenyl)methanamine
SMILESCCCCC1CCC(C(N)c2cc(C)c(F)c(C)c2)CC1
InChIInChI=1S/C19H30FN/c1-4-5-6-15-7-9-16(10-8-15)19(21)17-11-13(2)18(20)14(3)12-17/h11-12,15-16,19H,4-10,21H2,1-3H3
InChIKeyKENIDMGTHLFWIA-UHFFFAOYSA-N
MW291.45 g/mol
LogP5.44
Rot. Bonds5

About (4-butylcyclohexyl)-(4-fluoro-3,5-dimethylphenyl)methanamine

(4-butylcyclohexyl)-(4-fluoro-3,5-dimethylphenyl)methanamine (PubChem CID 65299288) has the molecular formula C19H30FN and a molecular weight of 291.45 g/mol. Its IUPAC name is (4-butylcyclohexyl)-(4-fluoro-3,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(4-butylcyclohexyl)-(4-fluoro-3,5-dimethylphenyl)methanamine
PubChem CID65299288
Molecular FormulaC19H30FN
Molecular Weight291.45 g/mol
Exact Mass291.24
IUPAC Name(4-butylcyclohexyl)-(4-fluoro-3,5-dimethylphenyl)methanamine
SMILESCCCCC1CCC(C(N)c2cc(C)c(F)c(C)c2)CC1
InChIInChI=1S/C19H30FN/c1-4-5-6-15-7-9-16(10-8-15)19(21)17-11-13(2)18(20)14(3)12-17/h11-12,15-16,19H,4-10,21H2,1-3H3
InChIKeyKENIDMGTHLFWIA-UHFFFAOYSA-N
XLogP5.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.45
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclohexyl-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 65299040
(4-butylcyclohexyl)-(6-methyl-3-pyridinyl)methanamine
CID 115854740
(4-butylcyclohexyl)-(2,5-difluorophenyl)methanamine
CID 43100104
(4-butylcyclohexyl)-(2,3-difluorophenyl)methanamine
CID 115861911
(4-butylcyclohexyl)-(2-fluorophenyl)methanamine
CID 115827979
(4-butylcyclohexyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 63502788
(3-bromo-2,6-difluorophenyl)-(4-butylcyclohexyl)methanamine
CID 106944640
(4-butylcyclohexyl)-(5-methylfuran-2-yl)methanamine
CID 63503968
(4-butylcyclohexyl)-cyclopropylmethanamine
CID 104994185
(3,5-dimethylphenyl)-(4-ethylcyclohexyl)methanamine
CID 65395177
(4-butylcyclohexyl)-(3-fluorophenyl)methanol
CID 114978561
1-(4-butylcyclohexyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480190

Frequently Asked Questions

What is the IUPAC name of (4-butylcyclohexyl)-(4-fluoro-3,5-dimethylphenyl)methanamine?
The IUPAC name of (4-butylcyclohexyl)-(4-fluoro-3,5-dimethylphenyl)methanamine (CID 65299288) is (4-butylcyclohexyl)-(4-fluoro-3,5-dimethylphenyl)methanamine.
What is the SMILES notation for (4-butylcyclohexyl)-(4-fluoro-3,5-dimethylphenyl)methanamine?
The canonical SMILES for (4-butylcyclohexyl)-(4-fluoro-3,5-dimethylphenyl)methanamine is CCCCC1CCC(C(N)c2cc(C)c(F)c(C)c2)CC1.
What is the InChIKey of (4-butylcyclohexyl)-(4-fluoro-3,5-dimethylphenyl)methanamine?
The InChIKey is KENIDMGTHLFWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN/c1-4-5-6-15-7-9-16(10-8-15)19(21)17-11-13(2)18(20)14(3)12-17/h11-12,15-16,19H,4-10,21H2,1-3H3.
What are the key properties of (4-butylcyclohexyl)-(4-fluoro-3,5-dimethylphenyl)methanamine?
(4-butylcyclohexyl)-(4-fluoro-3,5-dimethylphenyl)methanamine has a molecular weight of 291.45 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylcyclohexyl)-(4-fluoro-3,5-dimethylphenyl)methanamine is sourced from PubChem (CID 65299288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).