N-cyclohexyl-N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine

C16H25FN2 — CID 62575307

IUPACN-cyclohexyl-N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine
SMILESCCN(CCNC1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2/c1-2-19(16-10-8-14(17)9-11-16)13-12-18-15-6-4-3-5-7-15/h8-11,15,18H,2-7,12-13H2,1H3
InChIKeySSLCSIOSUPSGDB-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.57
Rot. Bonds6

About N-cyclohexyl-N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine

N-cyclohexyl-N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine (PubChem CID 62575307) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-cyclohexyl-N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclohexyl-N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine
PubChem CID62575307
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-cyclohexyl-N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine
SMILESCCN(CCNC1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2/c1-2-19(16-10-8-14(17)9-11-16)13-12-18-15-6-4-3-5-7-15/h8-11,15,18H,2-7,12-13H2,1H3
InChIKeySSLCSIOSUPSGDB-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine?
The IUPAC name of N-cyclohexyl-N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine (CID 62575307) is N-cyclohexyl-N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclohexyl-N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclohexyl-N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine is CCN(CCNC1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of N-cyclohexyl-N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine?
The InChIKey is SSLCSIOSUPSGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-2-19(16-10-8-14(17)9-11-16)13-12-18-15-6-4-3-5-7-15/h8-11,15,18H,2-7,12-13H2,1H3.
What are the key properties of N-cyclohexyl-N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine?
N-cyclohexyl-N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine has a molecular weight of 264.39 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 62575307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).