1-amino-4-(3-tert-butyl-2-methoxy-5-methylphenyl)hexan-2-ol

C18H31NO2 — CID 83943002

IUPAC1-amino-4-(3-tert-butyl-2-methoxy-5-methylphenyl)hexan-2-ol
SMILESCCC(CC(O)CN)c1cc(C)cc(C(C)(C)C)c1OC
InChIInChI=1S/C18H31NO2/c1-7-13(10-14(20)11-19)15-8-12(2)9-16(17(15)21-6)18(3,4)5/h8-9,13-14,20H,7,10-11,19H2,1-6H3
InChIKeyOVJMGJBZQUGDGF-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.50
Rot. Bonds6

About 1-amino-4-(3-tert-butyl-2-methoxy-5-methylphenyl)hexan-2-ol

1-amino-4-(3-tert-butyl-2-methoxy-5-methylphenyl)hexan-2-ol (PubChem CID 83943002) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-amino-4-(3-tert-butyl-2-methoxy-5-methylphenyl)hexan-2-ol.

Molecular Properties

Compound Name1-amino-4-(3-tert-butyl-2-methoxy-5-methylphenyl)hexan-2-ol
PubChem CID83943002
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-amino-4-(3-tert-butyl-2-methoxy-5-methylphenyl)hexan-2-ol
SMILESCCC(CC(O)CN)c1cc(C)cc(C(C)(C)C)c1OC
InChIInChI=1S/C18H31NO2/c1-7-13(10-14(20)11-19)15-8-12(2)9-16(17(15)21-6)18(3,4)5/h8-9,13-14,20H,7,10-11,19H2,1-6H3
InChIKeyOVJMGJBZQUGDGF-UHFFFAOYSA-N
XLogP3.50
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-tert-butyl-2-methoxy-5-methylphenyl)ethane-1,2-diol
CID 82292256
2-[2-(3-tert-butyl-2-methoxy-5-methylphenyl)butyl]-3-ethyloxirane
CID 83942992
3-(3-tert-butyl-2-methoxy-5-methylphenyl)pentyl thiocyanate
CID 112719633
1-amino-4-(2-ethoxy-5-methylphenyl)hexan-2-ol
CID 83933716
1-amino-4-(3,5-dichloro-4-methoxyphenyl)hexan-2-ol
CID 83928692
1-tert-butyl-2-methoxy-5-methyl-3-[(Z)-non-6-en-4-yl]benzene
CID 83942988
1-amino-4-(3,5-ditert-butyl-4-methoxyphenyl)butan-2-ol
CID 83938613
2-[2-(3-tert-butyl-2-ethoxy-5-methylphenyl)propyl]propane-1,3-diamine
CID 83943036
3-(3-tert-butyl-2-methoxy-5-methylphenyl)-3-(methylamino)propan-1-ol
CID 112512927
1-amino-4-(2-chloro-4-methoxyphenyl)hexan-2-ol
CID 83942504
1-amino-4-(2-fluoro-4,5-dimethylphenyl)hexan-2-ol
CID 83931690
3-(3-tert-butyl-2-methoxy-5-methylphenyl)butanal
CID 117374437

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(3-tert-butyl-2-methoxy-5-methylphenyl)hexan-2-ol?
The IUPAC name of 1-amino-4-(3-tert-butyl-2-methoxy-5-methylphenyl)hexan-2-ol (CID 83943002) is 1-amino-4-(3-tert-butyl-2-methoxy-5-methylphenyl)hexan-2-ol.
What is the SMILES notation for 1-amino-4-(3-tert-butyl-2-methoxy-5-methylphenyl)hexan-2-ol?
The canonical SMILES for 1-amino-4-(3-tert-butyl-2-methoxy-5-methylphenyl)hexan-2-ol is CCC(CC(O)CN)c1cc(C)cc(C(C)(C)C)c1OC.
What is the InChIKey of 1-amino-4-(3-tert-butyl-2-methoxy-5-methylphenyl)hexan-2-ol?
The InChIKey is OVJMGJBZQUGDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-7-13(10-14(20)11-19)15-8-12(2)9-16(17(15)21-6)18(3,4)5/h8-9,13-14,20H,7,10-11,19H2,1-6H3.
What are the key properties of 1-amino-4-(3-tert-butyl-2-methoxy-5-methylphenyl)hexan-2-ol?
1-amino-4-(3-tert-butyl-2-methoxy-5-methylphenyl)hexan-2-ol has a molecular weight of 293.45 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(3-tert-butyl-2-methoxy-5-methylphenyl)hexan-2-ol is sourced from PubChem (CID 83943002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).