N'-butyl-N'-cyclopropyl-1-(2-fluorophenyl)propane-1,3-diamine

C16H25FN2 — CID 62645216

IUPACN'-butyl-N'-cyclopropyl-1-(2-fluorophenyl)propane-1,3-diamine
SMILESCCCCN(CCC(N)c1ccccc1F)C1CC1
InChIInChI=1S/C16H25FN2/c1-2-3-11-19(13-8-9-13)12-10-16(18)14-6-4-5-7-15(14)17/h4-7,13,16H,2-3,8-12,18H2,1H3
InChIKeyXVADITPWAAOEQU-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.48
Rot. Bonds8

About N'-butyl-N'-cyclopropyl-1-(2-fluorophenyl)propane-1,3-diamine

N'-butyl-N'-cyclopropyl-1-(2-fluorophenyl)propane-1,3-diamine (PubChem CID 62645216) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N'-butyl-N'-cyclopropyl-1-(2-fluorophenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-butyl-N'-cyclopropyl-1-(2-fluorophenyl)propane-1,3-diamine
PubChem CID62645216
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN'-butyl-N'-cyclopropyl-1-(2-fluorophenyl)propane-1,3-diamine
SMILESCCCCN(CCC(N)c1ccccc1F)C1CC1
InChIInChI=1S/C16H25FN2/c1-2-3-11-19(13-8-9-13)12-10-16(18)14-6-4-5-7-15(14)17/h4-7,13,16H,2-3,8-12,18H2,1H3
InChIKeyXVADITPWAAOEQU-UHFFFAOYSA-N
XLogP3.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[3-amino-3-(2-fluorophenyl)propyl]-cyclobutylamino]propan-1-ol
CID 102870739
1-(2-fluorophenyl)-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 62643010
1-(2-fluorophenyl)-N'-methyl-N'-pentylpropane-1,3-diamine
CID 62645170
N'-cyclopropyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine
CID 55098071
3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-ol
CID 55099405
1-(4-bromophenyl)-N'-butyl-N'-cyclopropylpropane-1,3-diamine
CID 62619631
1-(2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62644975
N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 63699831
N'-cyclopropyl-N'-ethyl-1-(2-fluorophenyl)-N-methylpropane-1,3-diamine
CID 55099247
1-(2-fluorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 81074159
N'-butyl-N'-cyclopropyl-N-methyl-1-phenylpropane-1,3-diamine
CID 62612456
1-(2-fluorophenyl)-N',N'-dipropylethane-1,2-diamine
CID 16791201

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-cyclopropyl-1-(2-fluorophenyl)propane-1,3-diamine?
The IUPAC name of N'-butyl-N'-cyclopropyl-1-(2-fluorophenyl)propane-1,3-diamine (CID 62645216) is N'-butyl-N'-cyclopropyl-1-(2-fluorophenyl)propane-1,3-diamine.
What is the SMILES notation for N'-butyl-N'-cyclopropyl-1-(2-fluorophenyl)propane-1,3-diamine?
The canonical SMILES for N'-butyl-N'-cyclopropyl-1-(2-fluorophenyl)propane-1,3-diamine is CCCCN(CCC(N)c1ccccc1F)C1CC1.
What is the InChIKey of N'-butyl-N'-cyclopropyl-1-(2-fluorophenyl)propane-1,3-diamine?
The InChIKey is XVADITPWAAOEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-2-3-11-19(13-8-9-13)12-10-16(18)14-6-4-5-7-15(14)17/h4-7,13,16H,2-3,8-12,18H2,1H3.
What are the key properties of N'-butyl-N'-cyclopropyl-1-(2-fluorophenyl)propane-1,3-diamine?
N'-butyl-N'-cyclopropyl-1-(2-fluorophenyl)propane-1,3-diamine has a molecular weight of 264.39 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-cyclopropyl-1-(2-fluorophenyl)propane-1,3-diamine is sourced from PubChem (CID 62645216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).