1-(2-fluorophenyl)-N'-methyl-N'-pentylpropane-1,3-diamine

C15H25FN2 — CID 62645170

IUPAC1-(2-fluorophenyl)-N'-methyl-N'-pentylpropane-1,3-diamine
SMILESCCCCCN(C)CCC(N)c1ccccc1F
InChIInChI=1S/C15H25FN2/c1-3-4-7-11-18(2)12-10-15(17)13-8-5-6-9-14(13)16/h5-6,8-9,15H,3-4,7,10-12,17H2,1-2H3
InChIKeyNCUSUWYEQFLMNH-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.34
Rot. Bonds8

About 1-(2-fluorophenyl)-N'-methyl-N'-pentylpropane-1,3-diamine

1-(2-fluorophenyl)-N'-methyl-N'-pentylpropane-1,3-diamine (PubChem CID 62645170) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N'-methyl-N'-pentylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N'-methyl-N'-pentylpropane-1,3-diamine
PubChem CID62645170
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name1-(2-fluorophenyl)-N'-methyl-N'-pentylpropane-1,3-diamine
SMILESCCCCCN(C)CCC(N)c1ccccc1F
InChIInChI=1S/C15H25FN2/c1-3-4-7-11-18(2)12-10-15(17)13-8-5-6-9-14(13)16/h5-6,8-9,15H,3-4,7,10-12,17H2,1-2H3
InChIKeyNCUSUWYEQFLMNH-UHFFFAOYSA-N
XLogP3.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 63699831
1-(2-fluorophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine
CID 65487482
1-(2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62644975
N'-butyl-N'-cyclopropyl-1-(2-fluorophenyl)propane-1,3-diamine
CID 62645216
1-(2-fluorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 81074159
1-(2-fluorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 114058268
1-(2-fluorophenyl)-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 62643010
1-(2-fluorophenyl)-N',N'-dipropylethane-1,2-diamine
CID 16791201
N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-pentylpropane-1,3-diamine
CID 115996740
1-(2-fluorophenyl)propan-1-amine
CID 18439474
(1R)-1-(2-fluorophenyl)-4-methylpentan-1-amine
CID 94457975
N'-(3-amino-3-naphthalen-1-ylpropyl)-N'-methyl-1-naphthalen-1-ylpropane-1,3-diamine
CID 57188438

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N'-methyl-N'-pentylpropane-1,3-diamine?
The IUPAC name of 1-(2-fluorophenyl)-N'-methyl-N'-pentylpropane-1,3-diamine (CID 62645170) is 1-(2-fluorophenyl)-N'-methyl-N'-pentylpropane-1,3-diamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N'-methyl-N'-pentylpropane-1,3-diamine?
The canonical SMILES for 1-(2-fluorophenyl)-N'-methyl-N'-pentylpropane-1,3-diamine is CCCCCN(C)CCC(N)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N'-methyl-N'-pentylpropane-1,3-diamine?
The InChIKey is NCUSUWYEQFLMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-3-4-7-11-18(2)12-10-15(17)13-8-5-6-9-14(13)16/h5-6,8-9,15H,3-4,7,10-12,17H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N'-methyl-N'-pentylpropane-1,3-diamine?
1-(2-fluorophenyl)-N'-methyl-N'-pentylpropane-1,3-diamine has a molecular weight of 252.38 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N'-methyl-N'-pentylpropane-1,3-diamine is sourced from PubChem (CID 62645170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).