1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine

C18H29FN2 — CID 62644190

IUPAC1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine
SMILESCNC(CCN(C)C1CCCCC1C)c1ccc(F)cc1
InChIInChI=1S/C18H29FN2/c1-14-6-4-5-7-18(14)21(3)13-12-17(20-2)15-8-10-16(19)11-9-15/h8-11,14,17-18,20H,4-7,12-13H2,1-3H3
InChIKeyAXSVPGQCELMEQZ-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.99
Rot. Bonds6

About 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine

1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine (PubChem CID 62644190) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine
PubChem CID62644190
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine
SMILESCNC(CCN(C)C1CCCCC1C)c1ccc(F)cc1
InChIInChI=1S/C18H29FN2/c1-14-6-4-5-7-18(14)21(3)13-12-17(20-2)15-8-10-16(19)11-9-15/h8-11,14,17-18,20H,4-7,12-13H2,1-3H3
InChIKeyAXSVPGQCELMEQZ-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.99
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,N'-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine?
The IUPAC name of 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine (CID 62644190) is 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine?
The canonical SMILES for 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine is CNC(CCN(C)C1CCCCC1C)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine?
The InChIKey is AXSVPGQCELMEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-14-6-4-5-7-18(14)21(3)13-12-17(20-2)15-8-10-16(19)11-9-15/h8-11,14,17-18,20H,4-7,12-13H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine?
1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine has a molecular weight of 292.44 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine is sourced from PubChem (CID 62644190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).