2-N-(4-ethylcyclohexyl)-3,4-difluorobenzene-1,2-diamine

C14H20F2N2 — CID 62531989

IUPAC2-N-(4-ethylcyclohexyl)-3,4-difluorobenzene-1,2-diamine
SMILESCCC1CCC(Nc2c(N)ccc(F)c2F)CC1
InChIInChI=1S/C14H20F2N2/c1-2-9-3-5-10(6-4-9)18-14-12(17)8-7-11(15)13(14)16/h7-10,18H,2-6,17H2,1H3
InChIKeyRQJHBXAXWDAZTC-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.93
Rot. Bonds3

About 2-N-(4-ethylcyclohexyl)-3,4-difluorobenzene-1,2-diamine

2-N-(4-ethylcyclohexyl)-3,4-difluorobenzene-1,2-diamine (PubChem CID 62531989) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 2-N-(4-ethylcyclohexyl)-3,4-difluorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-ethylcyclohexyl)-3,4-difluorobenzene-1,2-diamine
PubChem CID62531989
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name2-N-(4-ethylcyclohexyl)-3,4-difluorobenzene-1,2-diamine
SMILESCCC1CCC(Nc2c(N)ccc(F)c2F)CC1
InChIInChI=1S/C14H20F2N2/c1-2-9-3-5-10(6-4-9)18-14-12(17)8-7-11(15)13(14)16/h7-10,18H,2-6,17H2,1H3
InChIKeyRQJHBXAXWDAZTC-UHFFFAOYSA-N
XLogP3.93
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethylcyclohexyl)-2,3,4,5,6-pentafluoroaniline
CID 63540552
3,4-difluoro-2-N-(1-oxothian-4-yl)benzene-1,2-diamine
CID 113479698
3,4-difluoro-2-N-(3-methylcyclohexyl)benzene-1,2-diamine
CID 62533166
4-N-(4-ethylcyclohexyl)-2-methylbenzene-1,4-diamine
CID 54955577
5-(6-amino-2,3-difluoroanilino)-1-methylpiperidin-2-one
CID 64656316
2-amino-6-[(4-ethylcyclohexyl)amino]-3-fluorobenzoic acid
CID 83215667
4-bromo-2-N-(4-ethylcyclohexyl)benzene-1,2-diamine
CID 65343384
3-N-(4-ethylcyclohexyl)-5-fluorobenzene-1,3-diamine
CID 54955628
N-(4-ethylcyclohexyl)-2,3,5-trifluoroaniline
CID 55193534
3,4-difluoro-2-N-(oxan-4-ylmethyl)benzene-1,2-diamine
CID 55225841
4-ethyl-N-(3,4,5-trifluorophenyl)cycloheptan-1-amine
CID 65083616
N-(4-chloro-2-fluorophenyl)-4-ethylcycloheptan-1-amine
CID 65084049

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethylcyclohexyl)-3,4-difluorobenzene-1,2-diamine?
The IUPAC name of 2-N-(4-ethylcyclohexyl)-3,4-difluorobenzene-1,2-diamine (CID 62531989) is 2-N-(4-ethylcyclohexyl)-3,4-difluorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-(4-ethylcyclohexyl)-3,4-difluorobenzene-1,2-diamine?
The canonical SMILES for 2-N-(4-ethylcyclohexyl)-3,4-difluorobenzene-1,2-diamine is CCC1CCC(Nc2c(N)ccc(F)c2F)CC1.
What is the InChIKey of 2-N-(4-ethylcyclohexyl)-3,4-difluorobenzene-1,2-diamine?
The InChIKey is RQJHBXAXWDAZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-2-9-3-5-10(6-4-9)18-14-12(17)8-7-11(15)13(14)16/h7-10,18H,2-6,17H2,1H3.
What are the key properties of 2-N-(4-ethylcyclohexyl)-3,4-difluorobenzene-1,2-diamine?
2-N-(4-ethylcyclohexyl)-3,4-difluorobenzene-1,2-diamine has a molecular weight of 254.32 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-ethylcyclohexyl)-3,4-difluorobenzene-1,2-diamine is sourced from PubChem (CID 62531989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).