4-fluoro-4-(methoxymethyl)-5-methylheptan-1-amine

C10H22FNO — CID 103392585

IUPAC4-fluoro-4-(methoxymethyl)-5-methylheptan-1-amine
SMILESCCC(C)C(F)(CCCN)COC
InChIInChI=1S/C10H22FNO/c1-4-9(2)10(11,8-13-3)6-5-7-12/h9H,4-8,12H2,1-3H3
InChIKeyHXJRDLSQXRSEJQ-UHFFFAOYSA-N
MW191.29 g/mol
LogP2.13
Rot. Bonds7

About 4-fluoro-4-(methoxymethyl)-5-methylheptan-1-amine

4-fluoro-4-(methoxymethyl)-5-methylheptan-1-amine (PubChem CID 103392585) has the molecular formula C10H22FNO and a molecular weight of 191.29 g/mol. Its IUPAC name is 4-fluoro-4-(methoxymethyl)-5-methylheptan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(methoxymethyl)-5-methylheptan-1-amine
PubChem CID103392585
Molecular FormulaC10H22FNO
Molecular Weight191.29 g/mol
Exact Mass191.17
IUPAC Name4-fluoro-4-(methoxymethyl)-5-methylheptan-1-amine
SMILESCCC(C)C(F)(CCCN)COC
InChIInChI=1S/C10H22FNO/c1-4-9(2)10(11,8-13-3)6-5-7-12/h9H,4-8,12H2,1-3H3
InChIKeyHXJRDLSQXRSEJQ-UHFFFAOYSA-N
XLogP2.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-Dimethyloxan-4-yl)-2-fluoroethanamine
CID 124157739
2-Propyl-1-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 146397104
4-Methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 62505704
2-Propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505737
2-Propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505889
2-Ethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505913
2,3-Dimethyl-6-(2,2,2-trifluoroethoxy)hexan-1-amine
CID 81010438
5,5,5-Trifluoro-3-(2-methoxyethyl)pentan-1-amine
CID 82534577
4-Fluoro-4-(methoxymethyl)-6-methylnonan-1-amine
CID 103392364
4-Fluoro-4-(methoxymethyl)-6-methyloctan-1-amine
CID 103392386
4-Fluoro-4-(methoxymethyl)-7-methyloctan-1-amine
CID 103392394
4-Fluoro-4-(methoxymethyl)hexan-1-amine
CID 103392395

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(methoxymethyl)-5-methylheptan-1-amine?
The IUPAC name of 4-fluoro-4-(methoxymethyl)-5-methylheptan-1-amine (CID 103392585) is 4-fluoro-4-(methoxymethyl)-5-methylheptan-1-amine.
What is the SMILES notation for 4-fluoro-4-(methoxymethyl)-5-methylheptan-1-amine?
The canonical SMILES for 4-fluoro-4-(methoxymethyl)-5-methylheptan-1-amine is CCC(C)C(F)(CCCN)COC.
What is the InChIKey of 4-fluoro-4-(methoxymethyl)-5-methylheptan-1-amine?
The InChIKey is HXJRDLSQXRSEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FNO/c1-4-9(2)10(11,8-13-3)6-5-7-12/h9H,4-8,12H2,1-3H3.
What are the key properties of 4-fluoro-4-(methoxymethyl)-5-methylheptan-1-amine?
4-fluoro-4-(methoxymethyl)-5-methylheptan-1-amine has a molecular weight of 191.29 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(methoxymethyl)-5-methylheptan-1-amine is sourced from PubChem (CID 103392585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).