1-(4-fluorophenyl)-N-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine

C16H25FN2 — CID 61438895

IUPAC1-(4-fluorophenyl)-N-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
SMILESCC1CCC(N(C)C(CN)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H25FN2/c1-12-3-9-15(10-4-12)19(2)16(11-18)13-5-7-14(17)8-6-13/h5-8,12,15-16H,3-4,9-11,18H2,1-2H3
InChIKeyPQGQWMFBLHXPNL-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.34
Rot. Bonds4

About 1-(4-fluorophenyl)-N-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine

1-(4-fluorophenyl)-N-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine (PubChem CID 61438895) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
PubChem CID61438895
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name1-(4-fluorophenyl)-N-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
SMILESCC1CCC(N(C)C(CN)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H25FN2/c1-12-3-9-15(10-4-12)19(2)16(11-18)13-5-7-14(17)8-6-13/h5-8,12,15-16H,3-4,9-11,18H2,1-2H3
InChIKeyPQGQWMFBLHXPNL-UHFFFAOYSA-N
XLogP3.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine (CID 61438895) is 1-(4-fluorophenyl)-N-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine is CC1CCC(N(C)C(CN)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine?
The InChIKey is PQGQWMFBLHXPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-12-3-9-15(10-4-12)19(2)16(11-18)13-5-7-14(17)8-6-13/h5-8,12,15-16H,3-4,9-11,18H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine?
1-(4-fluorophenyl)-N-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine has a molecular weight of 264.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 61438895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).