3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]oxolan-3-ol

C16H25NO2 — CID 103904846

IUPAC3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]oxolan-3-ol
SMILESCc1cccc(CCC(C)NCC2(O)CCOC2)c1
InChIInChI=1S/C16H25NO2/c1-13-4-3-5-15(10-13)7-6-14(2)17-11-16(18)8-9-19-12-16/h3-5,10,14,17-18H,6-9,11-12H2,1-2H3
InChIKeyUIZGDMBOCSCXNJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.06
Rot. Bonds6

About 3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]oxolan-3-ol

3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]oxolan-3-ol (PubChem CID 103904846) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]oxolan-3-ol
PubChem CID103904846
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]oxolan-3-ol
SMILESCc1cccc(CCC(C)NCC2(O)CCOC2)c1
InChIInChI=1S/C16H25NO2/c1-13-4-3-5-15(10-13)7-6-14(2)17-11-16(18)8-9-19-12-16/h3-5,10,14,17-18H,6-9,11-12H2,1-2H3
InChIKeyUIZGDMBOCSCXNJ-UHFFFAOYSA-N
XLogP2.06
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclohexan-1-ol
CID 65107241
N-[(4-methyloxan-4-yl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 103903391
3-[[1-(3-methylphenyl)ethylamino]methyl]oxolan-3-ol
CID 103904871
4-[[(3-methylphenyl)methylamino]methyl]oxan-4-ol
CID 78928927
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
4-(3-methylphenyl)-N-(2-methylprop-2-enyl)butan-2-amine
CID 114615744
3-[(heptan-2-ylamino)methyl]oxolan-3-ol
CID 115896429
3-[4-(3-methylphenyl)butan-2-ylamino]propanoic acid
CID 61171891
3-[[1-(2-hydroxyphenyl)ethylamino]methyl]oxolan-3-ol
CID 113383834
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329
(3S)-3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]oxolan-3-ol
CID 97108282
3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]oxolan-3-ol
CID 103904882

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]oxolan-3-ol (CID 103904846) is 3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]oxolan-3-ol is Cc1cccc(CCC(C)NCC2(O)CCOC2)c1.
What is the InChIKey of 3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]oxolan-3-ol?
The InChIKey is UIZGDMBOCSCXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13-4-3-5-15(10-13)7-6-14(2)17-11-16(18)8-9-19-12-16/h3-5,10,14,17-18H,6-9,11-12H2,1-2H3.
What are the key properties of 3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]oxolan-3-ol?
3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]oxolan-3-ol has a molecular weight of 263.38 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 103904846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).