N'-(cyclohexylmethyl)-1-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine

C18H29FN2 — CID 62644204

IUPACN'-(cyclohexylmethyl)-1-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
SMILESCNC(CCN(C)CC1CCCCC1)c1cccc(F)c1
InChIInChI=1S/C18H29FN2/c1-20-18(16-9-6-10-17(19)13-16)11-12-21(2)14-15-7-4-3-5-8-15/h6,9-10,13,15,18,20H,3-5,7-8,11-12,14H2,1-2H3
InChIKeySXUQNAYYSHNKNU-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.99
Rot. Bonds7

About N'-(cyclohexylmethyl)-1-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine

N'-(cyclohexylmethyl)-1-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine (PubChem CID 62644204) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is N'-(cyclohexylmethyl)-1-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(cyclohexylmethyl)-1-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
PubChem CID62644204
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN'-(cyclohexylmethyl)-1-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
SMILESCNC(CCN(C)CC1CCCCC1)c1cccc(F)c1
InChIInChI=1S/C18H29FN2/c1-20-18(16-9-6-10-17(19)13-16)11-12-21(2)14-15-7-4-3-5-8-15/h6,9-10,13,15,18,20H,3-5,7-8,11-12,14H2,1-2H3
InChIKeySXUQNAYYSHNKNU-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63274437
1-(3-chlorophenyl)-N'-(cyclopentylmethyl)-N,N'-dimethylpropane-1,3-diamine
CID 63633035
N'-(cyclopropylmethyl)-N-ethyl-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62642941
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
1-(3-fluorophenyl)-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 62643009
1-(3-fluorophenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82744103
1-(4-fluorophenyl)-N,N'-dimethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine
CID 63713049
1-(3-bromophenyl)-N'-(cyclopentylmethyl)-N-ethyl-N'-methylpropane-1,3-diamine
CID 63633029
N'-(cyclobutylmethyl)-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 107401542
N',N'-dibutyl-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine
CID 63482175
2-[[3-(3-fluorophenyl)-3-(methylamino)propyl]-methylamino]propan-1-ol
CID 104554627

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexylmethyl)-1-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of N'-(cyclohexylmethyl)-1-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine (CID 62644204) is N'-(cyclohexylmethyl)-1-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(cyclohexylmethyl)-1-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-(cyclohexylmethyl)-1-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine is CNC(CCN(C)CC1CCCCC1)c1cccc(F)c1.
What is the InChIKey of N'-(cyclohexylmethyl)-1-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is SXUQNAYYSHNKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-20-18(16-9-6-10-17(19)13-16)11-12-21(2)14-15-7-4-3-5-8-15/h6,9-10,13,15,18,20H,3-5,7-8,11-12,14H2,1-2H3.
What are the key properties of N'-(cyclohexylmethyl)-1-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine?
N'-(cyclohexylmethyl)-1-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 292.44 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexylmethyl)-1-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 62644204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).