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

C18H29FN2 — CID 62643009

IUPAC1-(3-fluorophenyl)-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
SMILESCNC(CCN(C)C1CCC(C)CC1)c1cccc(F)c1
InChIInChI=1S/C18H29FN2/c1-14-7-9-17(10-8-14)21(3)12-11-18(20-2)15-5-4-6-16(19)13-15/h4-6,13-14,17-18,20H,7-12H2,1-3H3
InChIKeyFBYZAEBRKGCXTG-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.99
Rot. Bonds6

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

1-(3-fluorophenyl)-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine (PubChem CID 62643009) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
PubChem CID62643009
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name1-(3-fluorophenyl)-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
SMILESCNC(CCN(C)C1CCC(C)CC1)c1cccc(F)c1
InChIInChI=1S/C18H29FN2/c1-14-7-9-17(10-8-14)21(3)12-11-18(20-2)15-5-4-6-16(19)13-15/h4-6,13-14,17-18,20H,7-12H2,1-3H3
InChIKeyFBYZAEBRKGCXTG-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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Related Compounds

1-(3-fluorophenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82744103
N'-cyclopropyl-N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine
CID 64521664
1-(3-fluorophenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 62644803
N'-(cyclohexylmethyl)-1-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 62644204
N',N'-dibutyl-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine
CID 63482175
1-(3-bromophenyl)-N'-cyclopentyl-N,N'-dimethylpropane-1,3-diamine
CID 62618045
1-(3-fluorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63274437
1-(3-fluorophenyl)-N-methyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine
CID 63493726
1-(3-fluorophenyl)-N-methyl-3-(4-methylazepan-1-yl)propan-1-amine
CID 63624690
2-[[3-(3-fluorophenyl)-3-(methylamino)propyl]-methylamino]propan-1-ol
CID 104554627
1-(3-fluorophenyl)-N-methylheptan-1-amine
CID 62607373
N'-cyclopropyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 55098964

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine?
The IUPAC name of 1-(3-fluorophenyl)-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine (CID 62643009) is 1-(3-fluorophenyl)-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine?
The canonical SMILES for 1-(3-fluorophenyl)-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine is CNC(CCN(C)C1CCC(C)CC1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine?
The InChIKey is FBYZAEBRKGCXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-14-7-9-17(10-8-14)21(3)12-11-18(20-2)15-5-4-6-16(19)13-15/h4-6,13-14,17-18,20H,7-12H2,1-3H3.
What are the key properties of 1-(3-fluorophenyl)-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine?
1-(3-fluorophenyl)-N,N'-dimethyl-N'-(4-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-(3-fluorophenyl)-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine is sourced from PubChem (CID 62643009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).