[4-(aminomethyl)oxan-4-yl]-(4-propan-2-yloxyphenyl)methanol

C16H25NO3 — CID 79135593

IUPAC[4-(aminomethyl)oxan-4-yl]-(4-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1ccc(C(O)C2(CN)CCOCC2)cc1
InChIInChI=1S/C16H25NO3/c1-12(2)20-14-5-3-13(4-6-14)15(18)16(11-17)7-9-19-10-8-16/h3-6,12,15,18H,7-11,17H2,1-2H3
InChIKeyFEHDAESHDYWQGX-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.26
Rot. Bonds5

About [4-(aminomethyl)oxan-4-yl]-(4-propan-2-yloxyphenyl)methanol

[4-(aminomethyl)oxan-4-yl]-(4-propan-2-yloxyphenyl)methanol (PubChem CID 79135593) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-(4-propan-2-yloxyphenyl)methanol.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-(4-propan-2-yloxyphenyl)methanol
PubChem CID79135593
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name[4-(aminomethyl)oxan-4-yl]-(4-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1ccc(C(O)C2(CN)CCOCC2)cc1
InChIInChI=1S/C16H25NO3/c1-12(2)20-14-5-3-13(4-6-14)15(18)16(11-17)7-9-19-10-8-16/h3-6,12,15,18H,7-11,17H2,1-2H3
InChIKeyFEHDAESHDYWQGX-UHFFFAOYSA-N
XLogP2.26
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-[4-(aminomethyl)oxan-4-yl]-(4-methoxyphenyl)methanol
CID 97035178
[4-(aminomethyl)oxan-4-yl]-(6-methyl-3-pyridinyl)methanol
CID 104824016
[4-(aminomethyl)oxan-4-yl]-(5-methylfuran-2-yl)methanol
CID 79134603
[3-(aminomethyl)oxolan-3-yl]-(4-bromophenyl)methanol
CID 79134979
[3-(aminomethyl)oxolan-3-yl]-phenylmethanol
CID 79134982
[4-(aminomethyl)oxan-4-yl]-(3-chloro-4-fluorophenyl)methanol
CID 81156337
[4-(aminomethyl)oxan-4-yl]-pyridin-3-ylmethanol
CID 79134625
(S)-[4-(aminomethyl)oxan-4-yl]-(2-methylphenyl)methanol
CID 97035219
[1-(aminomethyl)-3-methylcyclopentyl]-[4-(difluoromethoxy)phenyl]methanol
CID 79135427
[3-(aminomethyl)oxolan-3-yl]-[4-(trifluoromethyl)phenyl]methanol
CID 79135823
[1-(aminomethyl)cyclopentyl]-(4-methylphenyl)methanol
CID 79137754
(R)-oxan-4-yl-(4-propan-2-yloxyphenyl)methanamine;hydrochloride
CID 171250022

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-(4-propan-2-yloxyphenyl)methanol?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-(4-propan-2-yloxyphenyl)methanol (CID 79135593) is [4-(aminomethyl)oxan-4-yl]-(4-propan-2-yloxyphenyl)methanol.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-(4-propan-2-yloxyphenyl)methanol?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-(4-propan-2-yloxyphenyl)methanol is CC(C)Oc1ccc(C(O)C2(CN)CCOCC2)cc1.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-(4-propan-2-yloxyphenyl)methanol?
The InChIKey is FEHDAESHDYWQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12(2)20-14-5-3-13(4-6-14)15(18)16(11-17)7-9-19-10-8-16/h3-6,12,15,18H,7-11,17H2,1-2H3.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-(4-propan-2-yloxyphenyl)methanol?
[4-(aminomethyl)oxan-4-yl]-(4-propan-2-yloxyphenyl)methanol has a molecular weight of 279.38 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]-(4-propan-2-yloxyphenyl)methanol is sourced from PubChem (CID 79135593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).