4-tert-butyl-1-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine

C17H25F2N — CID 63408034

IUPAC4-tert-butyl-1-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C17H25F2N/c1-16(2,3)13-7-9-17(20,10-8-13)11-12-5-4-6-14(18)15(12)19/h4-6,13H,7-11,20H2,1-3H3
InChIKeyRGCPJPOGUBGHCV-UHFFFAOYSA-N
MW281.39 g/mol
LogP4.44
Rot. Bonds2

About 4-tert-butyl-1-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine

4-tert-butyl-1-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine (PubChem CID 63408034) has the molecular formula C17H25F2N and a molecular weight of 281.39 g/mol. Its IUPAC name is 4-tert-butyl-1-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-1-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine
PubChem CID63408034
Molecular FormulaC17H25F2N
Molecular Weight281.39 g/mol
Exact Mass281.20
IUPAC Name4-tert-butyl-1-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C17H25F2N/c1-16(2,3)13-7-9-17(20,10-8-13)11-12-5-4-6-14(18)15(12)19/h4-6,13H,7-11,20H2,1-3H3
InChIKeyRGCPJPOGUBGHCV-UHFFFAOYSA-N
XLogP4.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-bromo-2,6-difluorophenyl)methyl]-4-tert-butylcyclohexan-1-amine
CID 106265793
4-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 63407778
1-[(2-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 64513406
4-tert-butyl-1-[(3-fluorophenyl)methyl]cycloheptan-1-amine
CID 65089483
4-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 60799490
1-[(2,6-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 114931200
1-[(2-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63411451
2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]propan-2-amine
CID 103700276
4-tert-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine
CID 65020416
2-tert-butyl-2-[(2,3-difluorophenyl)methyl]pyrrolidine
CID 66468331
1-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine
CID 117337409
2-(2,3-difluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine
CID 107179648

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-1-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine (CID 63408034) is 4-tert-butyl-1-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-1-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-1-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine is CC(C)(C)C1CCC(N)(Cc2cccc(F)c2F)CC1.
What is the InChIKey of 4-tert-butyl-1-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine?
The InChIKey is RGCPJPOGUBGHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N/c1-16(2,3)13-7-9-17(20,10-8-13)11-12-5-4-6-14(18)15(12)19/h4-6,13H,7-11,20H2,1-3H3.
What are the key properties of 4-tert-butyl-1-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine?
4-tert-butyl-1-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine has a molecular weight of 281.39 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 63408034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).