1-[4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexyl]ethanamine

C12H22F3NO — CID 84737864

IUPAC1-[4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexyl]ethanamine
SMILESCOC(CC1CCC(C(C)N)CC1)C(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-8(16)10-5-3-9(4-6-10)7-11(17-2)12(13,14)15/h8-11H,3-7,16H2,1-2H3
InChIKeyPHJRRGNCKOSZTN-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.11
Rot. Bonds4

About 1-[4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexyl]ethanamine

1-[4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexyl]ethanamine (PubChem CID 84737864) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name1-[4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexyl]ethanamine
PubChem CID84737864
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name1-[4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexyl]ethanamine
SMILESCOC(CC1CCC(C(C)N)CC1)C(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-8(16)10-5-3-9(4-6-10)7-11(17-2)12(13,14)15/h8-11H,3-7,16H2,1-2H3
InChIKeyPHJRRGNCKOSZTN-UHFFFAOYSA-N
XLogP3.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,4-Difluorocyclohexyl)-2-ethoxyethan-1-amine hydrochloride
CID 155821550
(2S,3R,5S)-2,5-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol
CID 18655656
2,5-Diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol
CID 18939543
4-(1,1,1-Trifluoro-2-methoxypropan-2-yl)cyclohexan-1-amine
CID 21252713
1-Cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine
CID 54123882
1,7-Diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol
CID 67918109
4-(2,3-Difluoro-4-methoxycyclohexyl)cyclohexan-1-amine
CID 68198507
3-Amino-1,1,1-trifluoro-3-(4-methylcyclohexyl)propan-2-ol
CID 69826100
6-[4-(Difluoromethyl)cyclohexyl]oxan-3-amine
CID 70843048
4-Hexoxy-3-(trifluoromethyl)cyclohexan-1-amine
CID 123640175
1-[(2R)-3,3,3-trifluoro-2-methoxypropyl]cyclohexane-1,4-diamine
CID 123911581
(2S)-3,3-difluoro-4-[(2R,5S)-5-methyloxan-2-yl]butan-2-amine
CID 134353026

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexyl]ethanamine?
The IUPAC name of 1-[4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexyl]ethanamine (CID 84737864) is 1-[4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexyl]ethanamine.
What is the SMILES notation for 1-[4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexyl]ethanamine?
The canonical SMILES for 1-[4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexyl]ethanamine is COC(CC1CCC(C(C)N)CC1)C(F)(F)F.
What is the InChIKey of 1-[4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexyl]ethanamine?
The InChIKey is PHJRRGNCKOSZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-8(16)10-5-3-9(4-6-10)7-11(17-2)12(13,14)15/h8-11H,3-7,16H2,1-2H3.
What are the key properties of 1-[4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexyl]ethanamine?
1-[4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexyl]ethanamine has a molecular weight of 253.31 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,3,3-trifluoro-2-methoxypropyl)cyclohexyl]ethanamine is sourced from PubChem (CID 84737864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).