N-(2-tert-butylcyclohexyl)-3,4-difluoroaniline

C16H23F2N — CID 43095485

IUPACN-(2-tert-butylcyclohexyl)-3,4-difluoroaniline
SMILESCC(C)(C)C1CCCCC1Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H23F2N/c1-16(2,3)12-6-4-5-7-15(12)19-11-8-9-13(17)14(18)10-11/h8-10,12,15,19H,4-7H2,1-3H3
InChIKeyNUCAQPWSNHQUNX-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.98
Rot. Bonds2

About N-(2-tert-butylcyclohexyl)-3,4-difluoroaniline

N-(2-tert-butylcyclohexyl)-3,4-difluoroaniline (PubChem CID 43095485) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is N-(2-tert-butylcyclohexyl)-3,4-difluoroaniline.

Molecular Properties

Compound NameN-(2-tert-butylcyclohexyl)-3,4-difluoroaniline
PubChem CID43095485
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC NameN-(2-tert-butylcyclohexyl)-3,4-difluoroaniline
SMILESCC(C)(C)C1CCCCC1Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H23F2N/c1-16(2,3)12-6-4-5-7-15(12)19-11-8-9-13(17)14(18)10-11/h8-10,12,15,19H,4-7H2,1-3H3
InChIKeyNUCAQPWSNHQUNX-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1S,2S)-2-(3,4-difluoroanilino)cyclohexan-1-ol
CID 102730932
3,4-difluoro-N-(2-methoxycyclohexyl)aniline
CID 43761652
N-(2-tert-butylcyclohexyl)-2-fluoro-5-methylaniline
CID 43122819
N-(2,3-dimethylcyclohexyl)-3,4-difluoroaniline
CID 64776370
N-(2-tert-butylcyclohexyl)aniline
CID 43100698
1-N-(3,4-difluorophenyl)cyclopentane-1,2-diamine
CID 102571502
N-(2-tert-butylcyclohexyl)-2-fluoro-4-methylaniline
CID 43114249
3-bromo-4-fluoro-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 104775706
N-[4-[(2-tert-butylcyclohexyl)amino]phenyl]acetamide
CID 43097277
4-[(2-tert-butylcyclohexyl)amino]-2-chlorobenzonitrile
CID 43168410
N-(2-tert-butylcyclohexyl)-2,4-dichloroaniline
CID 55199009
N-(2-tert-butylcyclohexyl)thiophen-3-amine
CID 66350767

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylcyclohexyl)-3,4-difluoroaniline?
The IUPAC name of N-(2-tert-butylcyclohexyl)-3,4-difluoroaniline (CID 43095485) is N-(2-tert-butylcyclohexyl)-3,4-difluoroaniline.
What is the SMILES notation for N-(2-tert-butylcyclohexyl)-3,4-difluoroaniline?
The canonical SMILES for N-(2-tert-butylcyclohexyl)-3,4-difluoroaniline is CC(C)(C)C1CCCCC1Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(2-tert-butylcyclohexyl)-3,4-difluoroaniline?
The InChIKey is NUCAQPWSNHQUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-16(2,3)12-6-4-5-7-15(12)19-11-8-9-13(17)14(18)10-11/h8-10,12,15,19H,4-7H2,1-3H3.
What are the key properties of N-(2-tert-butylcyclohexyl)-3,4-difluoroaniline?
N-(2-tert-butylcyclohexyl)-3,4-difluoroaniline has a molecular weight of 267.36 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylcyclohexyl)-3,4-difluoroaniline is sourced from PubChem (CID 43095485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).