trans-(1S,2S)-2-fluoro-4-[4-(2-propan-2-ylmorpholin-4-yl)butan-2-yl]cyclohexan-1-amine

C17H33FN2O — CID 175638445

IUPACtrans-(1S,2S)-2-fluoro-4-[4-(2-propan-2-ylmorpholin-4-yl)butan-2-yl]cyclohexan-1-amine
SMILESCC(C)C1CN(CCC(C)C2CC[C@H](N)[C@@H](F)C2)CCO1
InChIInChI=1S/C17H33FN2O/c1-12(2)17-11-20(8-9-21-17)7-6-13(3)14-4-5-16(19)15(18)10-14/h12-17H,4-11,19H2,1-3H3/t13?,14?,15-,16-,17?/m0/s1
InChIKeyFCQGCXQSECCTBR-KZWYQTIJSA-N
MW300.46 g/mol
LogP2.83
Rot. Bonds5

About trans-(1S,2S)-2-fluoro-4-[4-(2-propan-2-ylmorpholin-4-yl)butan-2-yl]cyclohexan-1-amine

trans-(1S,2S)-2-fluoro-4-[4-(2-propan-2-ylmorpholin-4-yl)butan-2-yl]cyclohexan-1-amine (PubChem CID 175638445) has the molecular formula C17H33FN2O and a molecular weight of 300.46 g/mol. Its IUPAC name is trans-(1S,2S)-2-fluoro-4-[4-(2-propan-2-ylmorpholin-4-yl)butan-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-fluoro-4-[4-(2-propan-2-ylmorpholin-4-yl)butan-2-yl]cyclohexan-1-amine
PubChem CID175638445
Molecular FormulaC17H33FN2O
Molecular Weight300.46 g/mol
Exact Mass300.26
IUPAC Nametrans-(1S,2S)-2-fluoro-4-[4-(2-propan-2-ylmorpholin-4-yl)butan-2-yl]cyclohexan-1-amine
SMILESCC(C)C1CN(CCC(C)C2CC[C@H](N)[C@@H](F)C2)CCO1
InChIInChI=1S/C17H33FN2O/c1-12(2)17-11-20(8-9-21-17)7-6-13(3)14-4-5-16(19)15(18)10-14/h12-17H,4-11,19H2,1-3H3/t13?,14?,15-,16-,17?/m0/s1
InChIKeyFCQGCXQSECCTBR-KZWYQTIJSA-N
XLogP2.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-fluoro-4-[4-(2-propan-2-ylmorpholin-4-yl)butan-2-yl]cyclohexan-1-amine?
The IUPAC name of trans-(1S,2S)-2-fluoro-4-[4-(2-propan-2-ylmorpholin-4-yl)butan-2-yl]cyclohexan-1-amine (CID 175638445) is trans-(1S,2S)-2-fluoro-4-[4-(2-propan-2-ylmorpholin-4-yl)butan-2-yl]cyclohexan-1-amine.
What is the SMILES notation for trans-(1S,2S)-2-fluoro-4-[4-(2-propan-2-ylmorpholin-4-yl)butan-2-yl]cyclohexan-1-amine?
The canonical SMILES for trans-(1S,2S)-2-fluoro-4-[4-(2-propan-2-ylmorpholin-4-yl)butan-2-yl]cyclohexan-1-amine is CC(C)C1CN(CCC(C)C2CC[C@H](N)[C@@H](F)C2)CCO1.
What is the InChIKey of trans-(1S,2S)-2-fluoro-4-[4-(2-propan-2-ylmorpholin-4-yl)butan-2-yl]cyclohexan-1-amine?
The InChIKey is FCQGCXQSECCTBR-KZWYQTIJSA-N. The full InChI is InChI=1S/C17H33FN2O/c1-12(2)17-11-20(8-9-21-17)7-6-13(3)14-4-5-16(19)15(18)10-14/h12-17H,4-11,19H2,1-3H3/t13?,14?,15-,16-,17?/m0/s1.
What are the key properties of trans-(1S,2S)-2-fluoro-4-[4-(2-propan-2-ylmorpholin-4-yl)butan-2-yl]cyclohexan-1-amine?
trans-(1S,2S)-2-fluoro-4-[4-(2-propan-2-ylmorpholin-4-yl)butan-2-yl]cyclohexan-1-amine has a molecular weight of 300.46 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-fluoro-4-[4-(2-propan-2-ylmorpholin-4-yl)butan-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 175638445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).