2-N-(3-fluorophenyl)-2-N,4,4-trimethylpentane-1,2-diamine

C14H23FN2 — CID 62950234

IUPAC2-N-(3-fluorophenyl)-2-N,4,4-trimethylpentane-1,2-diamine
SMILESCN(c1cccc(F)c1)C(CN)CC(C)(C)C
InChIInChI=1S/C14H23FN2/c1-14(2,3)9-13(10-16)17(4)12-7-5-6-11(15)8-12/h5-8,13H,9-10,16H2,1-4H3
InChIKeyYZBXBPCTWFSMBX-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.03
Rot. Bonds4

About 2-N-(3-fluorophenyl)-2-N,4,4-trimethylpentane-1,2-diamine

2-N-(3-fluorophenyl)-2-N,4,4-trimethylpentane-1,2-diamine (PubChem CID 62950234) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-N-(3-fluorophenyl)-2-N,4,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-fluorophenyl)-2-N,4,4-trimethylpentane-1,2-diamine
PubChem CID62950234
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name2-N-(3-fluorophenyl)-2-N,4,4-trimethylpentane-1,2-diamine
SMILESCN(c1cccc(F)c1)C(CN)CC(C)(C)C
InChIInChI=1S/C14H23FN2/c1-14(2,3)9-13(10-16)17(4)12-7-5-6-11(15)8-12/h5-8,13H,9-10,16H2,1-4H3
InChIKeyYZBXBPCTWFSMBX-UHFFFAOYSA-N
XLogP3.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,4,4-trimethyl-2-N-(3-methylphenyl)pentane-1,2-diamine
CID 62950232
1-(3-fluorophenyl)-1-methylhydrazine
CID 53400268
N-(3-fluorophenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204355
2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 62259102
1,1-bis(3-fluorophenyl)hydrazine
CID 68971186
N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-fluoro-N-methylaniline
CID 79848165
2-(3-fluoro-N-methylanilino)-3-methylbutan-1-ol
CID 115137475
2-N-[1-(2-fluorophenyl)ethyl]-2-N,4,4-trimethylpentane-1,2-diamine
CID 62978792
3-fluoro-N,N-dimethylaniline;methane
CID 157466440
4-(aminomethyl)-N-(3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine
CID 107541895
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-3-fluoro-N-methylaniline
CID 105347442
1-N-(3-fluorophenyl)-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62487752

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-fluorophenyl)-2-N,4,4-trimethylpentane-1,2-diamine?
The IUPAC name of 2-N-(3-fluorophenyl)-2-N,4,4-trimethylpentane-1,2-diamine (CID 62950234) is 2-N-(3-fluorophenyl)-2-N,4,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(3-fluorophenyl)-2-N,4,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-(3-fluorophenyl)-2-N,4,4-trimethylpentane-1,2-diamine is CN(c1cccc(F)c1)C(CN)CC(C)(C)C.
What is the InChIKey of 2-N-(3-fluorophenyl)-2-N,4,4-trimethylpentane-1,2-diamine?
The InChIKey is YZBXBPCTWFSMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-14(2,3)9-13(10-16)17(4)12-7-5-6-11(15)8-12/h5-8,13H,9-10,16H2,1-4H3.
What are the key properties of 2-N-(3-fluorophenyl)-2-N,4,4-trimethylpentane-1,2-diamine?
2-N-(3-fluorophenyl)-2-N,4,4-trimethylpentane-1,2-diamine has a molecular weight of 238.35 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-fluorophenyl)-2-N,4,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 62950234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).