N-[(4-tert-butylcyclohexyl)methyl]-3,5-difluoroaniline

C17H25F2N — CID 104574770

IUPACN-[(4-tert-butylcyclohexyl)methyl]-3,5-difluoroaniline
SMILESCC(C)(C)C1CCC(CNc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C17H25F2N/c1-17(2,3)13-6-4-12(5-7-13)11-20-16-9-14(18)8-15(19)10-16/h8-10,12-13,20H,4-7,11H2,1-3H3
InChIKeyCZDLTJOEHBBJDA-UHFFFAOYSA-N
MW281.39 g/mol
LogP5.23
Rot. Bonds3

About N-[(4-tert-butylcyclohexyl)methyl]-3,5-difluoroaniline

N-[(4-tert-butylcyclohexyl)methyl]-3,5-difluoroaniline (PubChem CID 104574770) has the molecular formula C17H25F2N and a molecular weight of 281.39 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexyl)methyl]-3,5-difluoroaniline.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexyl)methyl]-3,5-difluoroaniline
PubChem CID104574770
Molecular FormulaC17H25F2N
Molecular Weight281.39 g/mol
Exact Mass281.20
IUPAC NameN-[(4-tert-butylcyclohexyl)methyl]-3,5-difluoroaniline
SMILESCC(C)(C)C1CCC(CNc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C17H25F2N/c1-17(2,3)13-6-4-12(5-7-13)11-20-16-9-14(18)8-15(19)10-16/h8-10,12-13,20H,4-7,11H2,1-3H3
InChIKeyCZDLTJOEHBBJDA-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.39
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-aminocyclohexyl)methyl]-3,5-difluoroaniline
CID 59230383
N-[(4-tert-butylcyclohexyl)methyl]-2,3,5-trifluoroaniline
CID 104575070
N-(4-tert-butylcyclohexyl)-3,5-difluoroaniline
CID 28523701
3-N-(cyclohexylmethyl)-5-fluorobenzene-1,3-diamine
CID 60876329
3-bromo-N-(cyclobutylmethyl)-5-fluoroaniline
CID 131072578
3-chloro-N-(cyclohexylmethyl)-5-fluoroaniline
CID 107364208
N-[(4-tert-butylcyclohexyl)methyl]-3-iodo-4-methylaniline
CID 104574906
5-[(4-tert-butylcyclohexyl)methylamino]-2-methylphenol
CID 107700302
N-(2-cyclopropylethyl)-3-fluoro-5-methylaniline
CID 79054586
N-[(4-tert-butylcyclohexyl)methyl]-2,6-difluoro-3-methylaniline
CID 104575271
3-fluoro-N-[(4-methylcyclohexyl)methyl]-5-nitroaniline
CID 55224773
3-fluoro-5-methoxy-N-(piperidin-4-ylmethyl)aniline
CID 114262773

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-3,5-difluoroaniline?
The IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-3,5-difluoroaniline (CID 104574770) is N-[(4-tert-butylcyclohexyl)methyl]-3,5-difluoroaniline.
What is the SMILES notation for N-[(4-tert-butylcyclohexyl)methyl]-3,5-difluoroaniline?
The canonical SMILES for N-[(4-tert-butylcyclohexyl)methyl]-3,5-difluoroaniline is CC(C)(C)C1CCC(CNc2cc(F)cc(F)c2)CC1.
What is the InChIKey of N-[(4-tert-butylcyclohexyl)methyl]-3,5-difluoroaniline?
The InChIKey is CZDLTJOEHBBJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N/c1-17(2,3)13-6-4-12(5-7-13)11-20-16-9-14(18)8-15(19)10-16/h8-10,12-13,20H,4-7,11H2,1-3H3.
What are the key properties of N-[(4-tert-butylcyclohexyl)methyl]-3,5-difluoroaniline?
N-[(4-tert-butylcyclohexyl)methyl]-3,5-difluoroaniline has a molecular weight of 281.39 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylcyclohexyl)methyl]-3,5-difluoroaniline is sourced from PubChem (CID 104574770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).