1-(2-fluorophenyl)-N',N'-dipropylethane-1,2-diamine

C14H23FN2 — CID 16791201

IUPAC1-(2-fluorophenyl)-N',N'-dipropylethane-1,2-diamine
SMILESCCCN(CCC)CC(N)c1ccccc1F
InChIInChI=1S/C14H23FN2/c1-3-9-17(10-4-2)11-14(16)12-7-5-6-8-13(12)15/h5-8,14H,3-4,9-11,16H2,1-2H3
InChIKeyANVVYCRFGSMQFP-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.95
Rot. Bonds7

About 1-(2-fluorophenyl)-N',N'-dipropylethane-1,2-diamine

1-(2-fluorophenyl)-N',N'-dipropylethane-1,2-diamine (PubChem CID 16791201) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N',N'-dipropylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N',N'-dipropylethane-1,2-diamine
PubChem CID16791201
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name1-(2-fluorophenyl)-N',N'-dipropylethane-1,2-diamine
SMILESCCCN(CCC)CC(N)c1ccccc1F
InChIInChI=1S/C14H23FN2/c1-3-9-17(10-4-2)11-14(16)12-7-5-6-8-13(12)15/h5-8,14H,3-4,9-11,16H2,1-2H3
InChIKeyANVVYCRFGSMQFP-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)propan-1-amine
CID 18439474
1-[2-(difluoromethoxy)phenyl]-N',N'-dipropylethane-1,2-diamine
CID 16794692
1-(2-fluorophenyl)-2-[2-hydroxyethyl(propyl)amino]ethanol
CID 56811844
1-(2-fluorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 114058268
1-(2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62644975
(1R)-1-(2-fluorophenyl)-4-methylpentan-1-amine
CID 94457975
1-(2-fluorophenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 114058272
1-(2-fluorophenyl)-N'-methyl-N'-pentylpropane-1,3-diamine
CID 62645170
1-(2-fluorophenyl)-1-N-methyl-1-N-propylbutane-1,2-diamine
CID 55018970
N'-cyclohexyl-1-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 16786425
N',N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
CID 112679793
(1S)-1-(2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 66516599

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N',N'-dipropylethane-1,2-diamine?
The IUPAC name of 1-(2-fluorophenyl)-N',N'-dipropylethane-1,2-diamine (CID 16791201) is 1-(2-fluorophenyl)-N',N'-dipropylethane-1,2-diamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N',N'-dipropylethane-1,2-diamine?
The canonical SMILES for 1-(2-fluorophenyl)-N',N'-dipropylethane-1,2-diamine is CCCN(CCC)CC(N)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N',N'-dipropylethane-1,2-diamine?
The InChIKey is ANVVYCRFGSMQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-3-9-17(10-4-2)11-14(16)12-7-5-6-8-13(12)15/h5-8,14H,3-4,9-11,16H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N',N'-dipropylethane-1,2-diamine?
1-(2-fluorophenyl)-N',N'-dipropylethane-1,2-diamine has a molecular weight of 238.35 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N',N'-dipropylethane-1,2-diamine is sourced from PubChem (CID 16791201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).