(2S)-2-fluoro-8-methoxy-3-methyloctan-4-amine

C10H22FNO — CID 163716390

IUPAC(2S)-2-fluoro-8-methoxy-3-methyloctan-4-amine
SMILESCOCCCCC(N)C(C)[C@H](C)F
InChIInChI=1S/C10H22FNO/c1-8(9(2)11)10(12)6-4-5-7-13-3/h8-10H,4-7,12H2,1-3H3/t8?,9-,10?/m0/s1
InChIKeyKNSQSEFXSSRIDO-KYHHOPLUSA-N
MW191.29 g/mol
LogP2.12
Rot. Bonds7

About (2S)-2-fluoro-8-methoxy-3-methyloctan-4-amine

(2S)-2-fluoro-8-methoxy-3-methyloctan-4-amine (PubChem CID 163716390) has the molecular formula C10H22FNO and a molecular weight of 191.29 g/mol. Its IUPAC name is (2S)-2-fluoro-8-methoxy-3-methyloctan-4-amine.

Molecular Properties

Compound Name(2S)-2-fluoro-8-methoxy-3-methyloctan-4-amine
PubChem CID163716390
Molecular FormulaC10H22FNO
Molecular Weight191.29 g/mol
Exact Mass191.17
IUPAC Name(2S)-2-fluoro-8-methoxy-3-methyloctan-4-amine
SMILESCOCCCCC(N)C(C)[C@H](C)F
InChIInChI=1S/C10H22FNO/c1-8(9(2)11)10(12)6-4-5-7-13-3/h8-10H,4-7,12H2,1-3H3/t8?,9-,10?/m0/s1
InChIKeyKNSQSEFXSSRIDO-KYHHOPLUSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(Methoxymethyl)cyclohexan-1-amine
CID 55284813
3-Fluoro-6-(methoxymethyl)-4-methylcycloheptan-1-amine
CID 155259230
cis-(1R,3S)-5-(1-ethoxyethyl)-3-(trifluoromethyl)cycloheptan-1-amine
CID 166684416
1-(3-Fluorooxetan-3-yl)hexan-2-amine
CID 178114647
2-(3-Ethoxypropyl) cyclohexylamine
CID 13948384
2-Methyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 61491063
3-Methyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 61491064
3-Ethyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 61491286
2-[3-(2,2,2-Trifluoroethoxy)propyl]cyclopentan-1-amine
CID 61491326
2-[3-(2,2,2-Trifluoroethoxy)propyl]cyclohexan-1-amine
CID 61491363
4-Propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 61748328
2-[3-(2,2,2-Trifluoroethoxy)propyl]cycloheptan-1-amine
CID 61748889

Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-8-methoxy-3-methyloctan-4-amine?
The IUPAC name of (2S)-2-fluoro-8-methoxy-3-methyloctan-4-amine (CID 163716390) is (2S)-2-fluoro-8-methoxy-3-methyloctan-4-amine.
What is the SMILES notation for (2S)-2-fluoro-8-methoxy-3-methyloctan-4-amine?
The canonical SMILES for (2S)-2-fluoro-8-methoxy-3-methyloctan-4-amine is COCCCCC(N)C(C)[C@H](C)F.
What is the InChIKey of (2S)-2-fluoro-8-methoxy-3-methyloctan-4-amine?
The InChIKey is KNSQSEFXSSRIDO-KYHHOPLUSA-N. The full InChI is InChI=1S/C10H22FNO/c1-8(9(2)11)10(12)6-4-5-7-13-3/h8-10H,4-7,12H2,1-3H3/t8?,9-,10?/m0/s1.
What are the key properties of (2S)-2-fluoro-8-methoxy-3-methyloctan-4-amine?
(2S)-2-fluoro-8-methoxy-3-methyloctan-4-amine has a molecular weight of 191.29 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-8-methoxy-3-methyloctan-4-amine is sourced from PubChem (CID 163716390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).