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

C16H27FN2 — CID 62979298

IUPAC3-N-[1-(2-fluorophenyl)ethyl]-3-N,4,4-trimethylpentane-2,3-diamine
SMILESCC(N)C(N(C)C(C)c1ccccc1F)C(C)(C)C
InChIInChI=1S/C16H27FN2/c1-11(18)15(16(3,4)5)19(6)12(2)13-9-7-8-10-14(13)17/h7-12,15H,18H2,1-6H3
InChIKeyQDYQXSRCLSGNFW-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.58
Rot. Bonds4

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

3-N-[1-(2-fluorophenyl)ethyl]-3-N,4,4-trimethylpentane-2,3-diamine (PubChem CID 62979298) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is 3-N-[1-(2-fluorophenyl)ethyl]-3-N,4,4-trimethylpentane-2,3-diamine.

Molecular Properties

Compound Name3-N-[1-(2-fluorophenyl)ethyl]-3-N,4,4-trimethylpentane-2,3-diamine
PubChem CID62979298
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC Name3-N-[1-(2-fluorophenyl)ethyl]-3-N,4,4-trimethylpentane-2,3-diamine
SMILESCC(N)C(N(C)C(C)c1ccccc1F)C(C)(C)C
InChIInChI=1S/C16H27FN2/c1-11(18)15(16(3,4)5)19(6)12(2)13-9-7-8-10-14(13)17/h7-12,15H,18H2,1-6H3
InChIKeyQDYQXSRCLSGNFW-UHFFFAOYSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-[1-(4-chlorophenyl)ethyl]-3-N,4,4-trimethylpentane-2,3-diamine
CID 55139687
2-N-[1-(2-chlorophenyl)ethyl]-1,1,1-trifluoro-2-N-methylbutane-2,3-diamine
CID 62978233
2-N-[1-(2-fluorophenyl)ethyl]-2-N,4,4-trimethylpentane-1,2-diamine
CID 62978792
1-N-[1-(2-fluorophenyl)ethyl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66452582
(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
CID 45072320
1-[1-(2-fluorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol
CID 55139894
2-[1-(2-fluorophenyl)ethyl-methylamino]butanamide
CID 62985920
1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980625
3-amino-2-[1-(2-fluorophenyl)ethyl-methylamino]pentan-1-ol
CID 104840425
1-(2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62644975
N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 62979148
1-(2-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
CID 62980719

Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(2-fluorophenyl)ethyl]-3-N,4,4-trimethylpentane-2,3-diamine?
The IUPAC name of 3-N-[1-(2-fluorophenyl)ethyl]-3-N,4,4-trimethylpentane-2,3-diamine (CID 62979298) is 3-N-[1-(2-fluorophenyl)ethyl]-3-N,4,4-trimethylpentane-2,3-diamine.
What is the SMILES notation for 3-N-[1-(2-fluorophenyl)ethyl]-3-N,4,4-trimethylpentane-2,3-diamine?
The canonical SMILES for 3-N-[1-(2-fluorophenyl)ethyl]-3-N,4,4-trimethylpentane-2,3-diamine is CC(N)C(N(C)C(C)c1ccccc1F)C(C)(C)C.
What is the InChIKey of 3-N-[1-(2-fluorophenyl)ethyl]-3-N,4,4-trimethylpentane-2,3-diamine?
The InChIKey is QDYQXSRCLSGNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-11(18)15(16(3,4)5)19(6)12(2)13-9-7-8-10-14(13)17/h7-12,15H,18H2,1-6H3.
What are the key properties of 3-N-[1-(2-fluorophenyl)ethyl]-3-N,4,4-trimethylpentane-2,3-diamine?
3-N-[1-(2-fluorophenyl)ethyl]-3-N,4,4-trimethylpentane-2,3-diamine has a molecular weight of 266.40 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-(2-fluorophenyl)ethyl]-3-N,4,4-trimethylpentane-2,3-diamine is sourced from PubChem (CID 62979298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).