N'-(2,2-dimethyloxan-4-yl)-N'-(4-fluorophenyl)ethane-1,2-diamine

C15H23FN2O — CID 67951784

IUPACN'-(2,2-dimethyloxan-4-yl)-N'-(4-fluorophenyl)ethane-1,2-diamine
SMILESCC1(C)CC(N(CCN)c2ccc(F)cc2)CCO1
InChIInChI=1S/C15H23FN2O/c1-15(2)11-14(7-10-19-15)18(9-8-17)13-5-3-12(16)4-6-13/h3-6,14H,7-11,17H2,1-2H3
InChIKeyJPBKOVMHDPAWMM-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.55
Rot. Bonds4

About N'-(2,2-dimethyloxan-4-yl)-N'-(4-fluorophenyl)ethane-1,2-diamine

N'-(2,2-dimethyloxan-4-yl)-N'-(4-fluorophenyl)ethane-1,2-diamine (PubChem CID 67951784) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N'-(2,2-dimethyloxan-4-yl)-N'-(4-fluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2-dimethyloxan-4-yl)-N'-(4-fluorophenyl)ethane-1,2-diamine
PubChem CID67951784
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN'-(2,2-dimethyloxan-4-yl)-N'-(4-fluorophenyl)ethane-1,2-diamine
SMILESCC1(C)CC(N(CCN)c2ccc(F)cc2)CCO1
InChIInChI=1S/C15H23FN2O/c1-15(2)11-14(7-10-19-15)18(9-8-17)13-5-3-12(16)4-6-13/h3-6,14H,7-11,17H2,1-2H3
InChIKeyJPBKOVMHDPAWMM-UHFFFAOYSA-N
XLogP2.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)oxan-4-amine
CID 43608420
N-buta-1,3-dien-2-yl-4-fluoro-N-[1-(oxan-4-yl)propyl]aniline
CID 163656774
N-(4-fluorophenyl)-N-tetrahydro-2H-pyran-4-ylamine
CID 25219450
(3S)-1-(4-fluorophenyl)-N-(3-methoxy-3-methylbutyl)pyrrolidin-3-amine
CID 129608887
1-(2,2-Dimethyloxan-4-yl)-3-(4-fluorophenyl)urea
CID 3688648
(3S)-N-[1-(3,4-difluorophenyl)piperidin-4-yl]-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 171359272
1-(2,4-Difluorophenyl)-3-(methoxymethyl)piperazine
CID 20785247
N-(2-fluorophenyl)oxan-4-amine
CID 43608428
N-(3-fluoro-4-methylphenyl)oxan-4-amine
CID 43608437
N-(2-fluoro-4-methylphenyl)oxan-4-amine
CID 43608592
N-(2-Fluoro-5-methylphenyl)tetrahydro-2H-pyran-4-amine
CID 43608597
N-benzyl-N'-(2,2-dimethyloxan-4-yl)-N'-(4-fluorophenyl)ethane-1,2-diamine
CID 57410012

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-dimethyloxan-4-yl)-N'-(4-fluorophenyl)ethane-1,2-diamine?
The IUPAC name of N'-(2,2-dimethyloxan-4-yl)-N'-(4-fluorophenyl)ethane-1,2-diamine (CID 67951784) is N'-(2,2-dimethyloxan-4-yl)-N'-(4-fluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,2-dimethyloxan-4-yl)-N'-(4-fluorophenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,2-dimethyloxan-4-yl)-N'-(4-fluorophenyl)ethane-1,2-diamine is CC1(C)CC(N(CCN)c2ccc(F)cc2)CCO1.
What is the InChIKey of N'-(2,2-dimethyloxan-4-yl)-N'-(4-fluorophenyl)ethane-1,2-diamine?
The InChIKey is JPBKOVMHDPAWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-15(2)11-14(7-10-19-15)18(9-8-17)13-5-3-12(16)4-6-13/h3-6,14H,7-11,17H2,1-2H3.
What are the key properties of N'-(2,2-dimethyloxan-4-yl)-N'-(4-fluorophenyl)ethane-1,2-diamine?
N'-(2,2-dimethyloxan-4-yl)-N'-(4-fluorophenyl)ethane-1,2-diamine has a molecular weight of 266.36 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dimethyloxan-4-yl)-N'-(4-fluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 67951784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).