2-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]propane-1,2-diamine

C14H23FN2 — CID 103388771

IUPAC2-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]propane-1,2-diamine
SMILESCC(CN)NC(c1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C14H23FN2/c1-10(9-16)17-13(14(2,3)4)11-5-7-12(15)8-6-11/h5-8,10,13,17H,9,16H2,1-4H3
InChIKeyNVRZFEWXDPZENW-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.85
Rot. Bonds4

About 2-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]propane-1,2-diamine

2-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]propane-1,2-diamine (PubChem CID 103388771) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]propane-1,2-diamine
PubChem CID103388771
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name2-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]propane-1,2-diamine
SMILESCC(CN)NC(c1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C14H23FN2/c1-10(9-16)17-13(14(2,3)4)11-5-7-12(15)8-6-11/h5-8,10,13,17H,9,16H2,1-4H3
InChIKeyNVRZFEWXDPZENW-UHFFFAOYSA-N
XLogP2.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-2-methylbutan-1-amine
CID 81010865
5-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide
CID 104684157
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]octan-1-amine
CID 43735025
2-[[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]acetamide
CID 94197027
(2R)-2-(4-fluorophenyl)propan-1-amine;hydrochloride
CID 170910887
1-(4-fluorophenyl)-2,2-dimethyl-N-(1-thiophen-2-ylpropyl)propan-1-amine
CID 43735017
N-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 107354180
(2S)-2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]butanamide
CID 79024176
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-oxobutanamide
CID 61249393
N-[1-(4-fluorophenyl)propyl]-3,3-dimethylbutan-2-amine
CID 104827878
2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide
CID 60847374
2-[1-(4-fluorophenyl)ethyl]propane-1,3-diamine
CID 83930930

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]propane-1,2-diamine?
The IUPAC name of 2-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]propane-1,2-diamine (CID 103388771) is 2-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]propane-1,2-diamine?
The canonical SMILES for 2-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]propane-1,2-diamine is CC(CN)NC(c1ccc(F)cc1)C(C)(C)C.
What is the InChIKey of 2-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]propane-1,2-diamine?
The InChIKey is NVRZFEWXDPZENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-10(9-16)17-13(14(2,3)4)11-5-7-12(15)8-6-11/h5-8,10,13,17H,9,16H2,1-4H3.
What are the key properties of 2-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]propane-1,2-diamine?
2-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]propane-1,2-diamine has a molecular weight of 238.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]propane-1,2-diamine is sourced from PubChem (CID 103388771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).