4-methoxy-2-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine

C16H30F3NO — CID 105185000

IUPAC4-methoxy-2-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine
SMILESCCCNC(C(C)CCOC)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H30F3NO/c1-4-9-20-15(12(2)8-10-21-3)13-6-5-7-14(11-13)16(17,18)19/h12-15,20H,4-11H2,1-3H3
InChIKeyQYUDDUUQAVEWTI-UHFFFAOYSA-N
MW309.42 g/mol
LogP4.40
Rot. Bonds8

About 4-methoxy-2-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine

4-methoxy-2-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine (PubChem CID 105185000) has the molecular formula C16H30F3NO and a molecular weight of 309.42 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine
PubChem CID105185000
Molecular FormulaC16H30F3NO
Molecular Weight309.42 g/mol
Exact Mass309.23
IUPAC Name4-methoxy-2-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine
SMILESCCCNC(C(C)CCOC)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H30F3NO/c1-4-9-20-15(12(2)8-10-21-3)13-6-5-7-14(11-13)16(17,18)19/h12-15,20H,4-11H2,1-3H3
InChIKeyQYUDDUUQAVEWTI-UHFFFAOYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine?
The IUPAC name of 4-methoxy-2-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine (CID 105185000) is 4-methoxy-2-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine.
What is the SMILES notation for 4-methoxy-2-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine?
The canonical SMILES for 4-methoxy-2-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine is CCCNC(C(C)CCOC)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 4-methoxy-2-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine?
The InChIKey is QYUDDUUQAVEWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F3NO/c1-4-9-20-15(12(2)8-10-21-3)13-6-5-7-14(11-13)16(17,18)19/h12-15,20H,4-11H2,1-3H3.
What are the key properties of 4-methoxy-2-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine?
4-methoxy-2-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine has a molecular weight of 309.42 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine is sourced from PubChem (CID 105185000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).