3-(4-fluorophenyl)-1-N,1-N-di(propan-2-yl)propane-1,2-diamine

C15H25FN2 — CID 22958965

IUPAC3-(4-fluorophenyl)-1-N,1-N-di(propan-2-yl)propane-1,2-diamine
SMILESCC(C)N(CC(N)Cc1ccc(F)cc1)C(C)C
InChIInChI=1S/C15H25FN2/c1-11(2)18(12(3)4)10-15(17)9-13-5-7-14(16)8-6-13/h5-8,11-12,15H,9-10,17H2,1-4H3
InChIKeyKQDZBTWKJUWLGZ-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.81
Rot. Bonds6

About 3-(4-fluorophenyl)-1-N,1-N-di(propan-2-yl)propane-1,2-diamine

3-(4-fluorophenyl)-1-N,1-N-di(propan-2-yl)propane-1,2-diamine (PubChem CID 22958965) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-N,1-N-di(propan-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-N,1-N-di(propan-2-yl)propane-1,2-diamine
PubChem CID22958965
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name3-(4-fluorophenyl)-1-N,1-N-di(propan-2-yl)propane-1,2-diamine
SMILESCC(C)N(CC(N)Cc1ccc(F)cc1)C(C)C
InChIInChI=1S/C15H25FN2/c1-11(2)18(12(3)4)10-15(17)9-13-5-7-14(16)8-6-13/h5-8,11-12,15H,9-10,17H2,1-4H3
InChIKeyKQDZBTWKJUWLGZ-UHFFFAOYSA-N
XLogP2.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-2-N-methyl-1-N,1-N-di(propan-2-yl)propane-1,2-diamine
CID 22958964
[4-[(2S)-2-amino-3-[di(propan-2-yl)amino]propyl]phenyl] N,N-dimethylcarbamate
CID 59904547
1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine
CID 62473089
1-(4-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 61079242
1-(4-fluorophenyl)-3-methoxybutan-2-amine
CID 79616204
1-(4-fluorophenyl)-4-methyl-3-propan-2-ylpentan-2-amine
CID 114282016
1-(4-fluorophenyl)undecan-2-amine
CID 63412478
1-(4-fluorophenyl)octan-2-amine
CID 62600868
[2-amino-3-(4-fluorophenyl)propyl]-(2-amino-2-oxoethyl)carbamic acid
CID 118340477
1-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)propan-2-amine
CID 114347641
2-amino-3-[4-[(4-fluorophenyl)methoxy]phenyl]propan-1-ol
CID 170892261
ethyl 3-amino-4-(4-fluorophenyl)butanoate
CID 82351777

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-N,1-N-di(propan-2-yl)propane-1,2-diamine?
The IUPAC name of 3-(4-fluorophenyl)-1-N,1-N-di(propan-2-yl)propane-1,2-diamine (CID 22958965) is 3-(4-fluorophenyl)-1-N,1-N-di(propan-2-yl)propane-1,2-diamine.
What is the SMILES notation for 3-(4-fluorophenyl)-1-N,1-N-di(propan-2-yl)propane-1,2-diamine?
The canonical SMILES for 3-(4-fluorophenyl)-1-N,1-N-di(propan-2-yl)propane-1,2-diamine is CC(C)N(CC(N)Cc1ccc(F)cc1)C(C)C.
What is the InChIKey of 3-(4-fluorophenyl)-1-N,1-N-di(propan-2-yl)propane-1,2-diamine?
The InChIKey is KQDZBTWKJUWLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-11(2)18(12(3)4)10-15(17)9-13-5-7-14(16)8-6-13/h5-8,11-12,15H,9-10,17H2,1-4H3.
What are the key properties of 3-(4-fluorophenyl)-1-N,1-N-di(propan-2-yl)propane-1,2-diamine?
3-(4-fluorophenyl)-1-N,1-N-di(propan-2-yl)propane-1,2-diamine has a molecular weight of 252.38 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-N,1-N-di(propan-2-yl)propane-1,2-diamine is sourced from PubChem (CID 22958965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).