N-[[2-(4-fluoro-2-methylphenyl)oxan-3-yl]methyl]cyclopropanamine

C16H22FNO — CID 79365930

IUPACN-[[2-(4-fluoro-2-methylphenyl)oxan-3-yl]methyl]cyclopropanamine
SMILESCc1cc(F)ccc1C1OCCCC1CNC1CC1
InChIInChI=1S/C16H22FNO/c1-11-9-13(17)4-7-15(11)16-12(3-2-8-19-16)10-18-14-5-6-14/h4,7,9,12,14,16,18H,2-3,5-6,8,10H2,1H3
InChIKeyUIOMGQKTWILODA-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.35
Rot. Bonds4

About N-[[2-(4-fluoro-2-methylphenyl)oxan-3-yl]methyl]cyclopropanamine

N-[[2-(4-fluoro-2-methylphenyl)oxan-3-yl]methyl]cyclopropanamine (PubChem CID 79365930) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[[2-(4-fluoro-2-methylphenyl)oxan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-fluoro-2-methylphenyl)oxan-3-yl]methyl]cyclopropanamine
PubChem CID79365930
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC NameN-[[2-(4-fluoro-2-methylphenyl)oxan-3-yl]methyl]cyclopropanamine
SMILESCc1cc(F)ccc1C1OCCCC1CNC1CC1
InChIInChI=1S/C16H22FNO/c1-11-9-13(17)4-7-15(11)16-12(3-2-8-19-16)10-18-14-5-6-14/h4,7,9,12,14,16,18H,2-3,5-6,8,10H2,1H3
InChIKeyUIOMGQKTWILODA-UHFFFAOYSA-N
XLogP3.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(4-fluoro-2-methylphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81032761
N-[[2-(2-methoxyphenyl)oxan-3-yl]methyl]cyclopropanamine
CID 79365291
N-[[2-(2,4-difluorophenyl)oxan-3-yl]methyl]propan-2-amine
CID 79365830
N-[[2-(2,4-dimethoxyphenyl)oxan-3-yl]methyl]cyclopropanamine
CID 79370940
1-[2-(2,5-difluorophenyl)oxan-3-yl]-N-methylmethanamine
CID 79365802
N-[[2-(2,4-dimethylphenyl)oxan-3-yl]methyl]propan-1-amine
CID 79365822
N-[[2-(2,3-difluorophenyl)oxolan-3-yl]methyl]cyclopropanamine
CID 79368837
N-[(2-quinolin-8-yloxan-3-yl)methyl]cyclopropanamine
CID 79370953
3-(chloromethyl)-2-(2,4-difluorophenyl)oxane
CID 79372640
N-[[2-(4-propan-2-ylphenyl)oxan-3-yl]methyl]cyclopropanamine
CID 79365200
N-[[2-(2-methylphenyl)oxan-3-yl]methyl]ethanamine
CID 79364725
N-[[2-(2,4-difluorophenyl)cycloheptyl]methyl]cyclopropanamine
CID 81026617

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluoro-2-methylphenyl)oxan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-fluoro-2-methylphenyl)oxan-3-yl]methyl]cyclopropanamine (CID 79365930) is N-[[2-(4-fluoro-2-methylphenyl)oxan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-fluoro-2-methylphenyl)oxan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-fluoro-2-methylphenyl)oxan-3-yl]methyl]cyclopropanamine is Cc1cc(F)ccc1C1OCCCC1CNC1CC1.
What is the InChIKey of N-[[2-(4-fluoro-2-methylphenyl)oxan-3-yl]methyl]cyclopropanamine?
The InChIKey is UIOMGQKTWILODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-11-9-13(17)4-7-15(11)16-12(3-2-8-19-16)10-18-14-5-6-14/h4,7,9,12,14,16,18H,2-3,5-6,8,10H2,1H3.
What are the key properties of N-[[2-(4-fluoro-2-methylphenyl)oxan-3-yl]methyl]cyclopropanamine?
N-[[2-(4-fluoro-2-methylphenyl)oxan-3-yl]methyl]cyclopropanamine has a molecular weight of 263.36 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluoro-2-methylphenyl)oxan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79365930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).