(4-butylcyclohexyl)-(2,3-difluorophenyl)methanamine

C17H25F2N — CID 115861911

IUPAC(4-butylcyclohexyl)-(2,3-difluorophenyl)methanamine
SMILESCCCCC1CCC(C(N)c2cccc(F)c2F)CC1
InChIInChI=1S/C17H25F2N/c1-2-3-5-12-8-10-13(11-9-12)17(20)14-6-4-7-15(18)16(14)19/h4,6-7,12-13,17H,2-3,5,8-11,20H2,1H3
InChIKeyNPKJVOOFBKIHQO-UHFFFAOYSA-N
MW281.39 g/mol
LogP4.96
Rot. Bonds5

About (4-butylcyclohexyl)-(2,3-difluorophenyl)methanamine

(4-butylcyclohexyl)-(2,3-difluorophenyl)methanamine (PubChem CID 115861911) has the molecular formula C17H25F2N and a molecular weight of 281.39 g/mol. Its IUPAC name is (4-butylcyclohexyl)-(2,3-difluorophenyl)methanamine.

Molecular Properties

Compound Name(4-butylcyclohexyl)-(2,3-difluorophenyl)methanamine
PubChem CID115861911
Molecular FormulaC17H25F2N
Molecular Weight281.39 g/mol
Exact Mass281.20
IUPAC Name(4-butylcyclohexyl)-(2,3-difluorophenyl)methanamine
SMILESCCCCC1CCC(C(N)c2cccc(F)c2F)CC1
InChIInChI=1S/C17H25F2N/c1-2-3-5-12-8-10-13(11-9-12)17(20)14-6-4-7-15(18)16(14)19/h4,6-7,12-13,17H,2-3,5,8-11,20H2,1H3
InChIKeyNPKJVOOFBKIHQO-UHFFFAOYSA-N
XLogP4.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-butylcyclohexyl)-(2-fluorophenyl)methanamine
CID 115827979
1-[[4-(4-butylcyclohexyl)cyclohexyl]-[[4-(4-butylcyclohexyl)cyclohexyl]-(2,3-difluorophenyl)methoxy]methyl]-2,3-difluorobenzene
CID 57022347
(4-butylcyclohexyl)-(2,5-difluorophenyl)methanamine
CID 43100104
1-[[4-(4-decylcyclohexyl)cyclohexyl]-[[4-(4-decylcyclohexyl)cyclohexyl]-(2,3-difluorophenyl)methoxy]methyl]-2,3-difluorobenzene
CID 57036678
(3-bromo-2,6-difluorophenyl)-(4-butylcyclohexyl)methanamine
CID 106944640
(4-butylcyclohexyl)-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 65299288
(1S)-2-cyclopropyl-1-(2,3-difluorophenyl)ethanamine
CID 131113466
1-(4-butylcyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 115859834
(S)-(2,3-difluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171241038
(2-chlorophenyl)-(4-propylcyclohexyl)methanamine
CID 65422989
(4-bromothiophen-3-yl)-(4-butylcyclohexyl)methanamine
CID 105010652
(4-butylcyclohexyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 63502788

Frequently Asked Questions

What is the IUPAC name of (4-butylcyclohexyl)-(2,3-difluorophenyl)methanamine?
The IUPAC name of (4-butylcyclohexyl)-(2,3-difluorophenyl)methanamine (CID 115861911) is (4-butylcyclohexyl)-(2,3-difluorophenyl)methanamine.
What is the SMILES notation for (4-butylcyclohexyl)-(2,3-difluorophenyl)methanamine?
The canonical SMILES for (4-butylcyclohexyl)-(2,3-difluorophenyl)methanamine is CCCCC1CCC(C(N)c2cccc(F)c2F)CC1.
What is the InChIKey of (4-butylcyclohexyl)-(2,3-difluorophenyl)methanamine?
The InChIKey is NPKJVOOFBKIHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N/c1-2-3-5-12-8-10-13(11-9-12)17(20)14-6-4-7-15(18)16(14)19/h4,6-7,12-13,17H,2-3,5,8-11,20H2,1H3.
What are the key properties of (4-butylcyclohexyl)-(2,3-difluorophenyl)methanamine?
(4-butylcyclohexyl)-(2,3-difluorophenyl)methanamine has a molecular weight of 281.39 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylcyclohexyl)-(2,3-difluorophenyl)methanamine is sourced from PubChem (CID 115861911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).