N'-(3,5-dimethylphenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine

C18H23FN2 — CID 62645408

IUPACN'-(3,5-dimethylphenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
SMILESCc1cc(C)cc(N(C)CCC(N)c2ccc(F)cc2)c1
InChIInChI=1S/C18H23FN2/c1-13-10-14(2)12-17(11-13)21(3)9-8-18(20)15-4-6-16(19)7-5-15/h4-7,10-12,18H,8-9,20H2,1-3H3
InChIKeyGJBJHUCCQYGXSR-UHFFFAOYSA-N
MW286.39 g/mol
LogP3.97
Rot. Bonds5

About N'-(3,5-dimethylphenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine

N'-(3,5-dimethylphenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine (PubChem CID 62645408) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is N'-(3,5-dimethylphenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3,5-dimethylphenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
PubChem CID62645408
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC NameN'-(3,5-dimethylphenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
SMILESCc1cc(C)cc(N(C)CCC(N)c2ccc(F)cc2)c1
InChIInChI=1S/C18H23FN2/c1-13-10-14(2)12-17(11-13)21(3)9-8-18(20)15-4-6-16(19)7-5-15/h4-7,10-12,18H,8-9,20H2,1-3H3
InChIKeyGJBJHUCCQYGXSR-UHFFFAOYSA-N
XLogP3.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-(3,5-dimethylphenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N',1-bis(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645224
N'-(3-fluorophenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645059
1-(4-fluorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62644528
1-(4-fluorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine
CID 62644481
1-(4-methylphenyl)-3-(N,3,5-trimethylanilino)propan-1-ol
CID 63490120
N',1-bis(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62644884
1-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 115346054
N'-ethyl-1-(4-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62643077
1-(5-fluoro-2-pyridinyl)-3-(N,3,5-trimethylanilino)propan-1-ol
CID 83111517
N'-(3-methoxyphenyl)-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62618937
N'-(3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine
CID 81079446
1-(4-fluorophenyl)pentan-1-amine;hydrochloride
CID 86262916

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethylphenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-(3,5-dimethylphenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine (CID 62645408) is N'-(3,5-dimethylphenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(3,5-dimethylphenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-(3,5-dimethylphenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine is Cc1cc(C)cc(N(C)CCC(N)c2ccc(F)cc2)c1.
What is the InChIKey of N'-(3,5-dimethylphenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine?
The InChIKey is GJBJHUCCQYGXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-13-10-14(2)12-17(11-13)21(3)9-8-18(20)15-4-6-16(19)7-5-15/h4-7,10-12,18H,8-9,20H2,1-3H3.
What are the key properties of N'-(3,5-dimethylphenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine?
N'-(3,5-dimethylphenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine has a molecular weight of 286.39 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethylphenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 62645408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).