3-[3-(4-amino-2,4-dimethylpentan-2-yl)phenoxy]-3-methylbutan-1-ol

C18H31NO2 — CID 167255420

IUPAC3-[3-(4-amino-2,4-dimethylpentan-2-yl)phenoxy]-3-methylbutan-1-ol
SMILESCC(C)(N)CC(C)(C)c1cccc(OC(C)(C)CCO)c1
InChIInChI=1S/C18H31NO2/c1-16(2,13-17(3,4)19)14-8-7-9-15(12-14)21-18(5,6)10-11-20/h7-9,12,20H,10-11,13,19H2,1-6H3
InChIKeySHTDTMKDTVUHAO-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.63
Rot. Bonds7

About 3-[3-(4-amino-2,4-dimethylpentan-2-yl)phenoxy]-3-methylbutan-1-ol

3-[3-(4-amino-2,4-dimethylpentan-2-yl)phenoxy]-3-methylbutan-1-ol (PubChem CID 167255420) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 3-[3-(4-amino-2,4-dimethylpentan-2-yl)phenoxy]-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-[3-(4-amino-2,4-dimethylpentan-2-yl)phenoxy]-3-methylbutan-1-ol
PubChem CID167255420
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name3-[3-(4-amino-2,4-dimethylpentan-2-yl)phenoxy]-3-methylbutan-1-ol
SMILESCC(C)(N)CC(C)(C)c1cccc(OC(C)(C)CCO)c1
InChIInChI=1S/C18H31NO2/c1-16(2,13-17(3,4)19)14-8-7-9-15(12-14)21-18(5,6)10-11-20/h7-9,12,20H,10-11,13,19H2,1-6H3
InChIKeySHTDTMKDTVUHAO-UHFFFAOYSA-N
XLogP3.63
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-phenoxybutan-1-ol
CID 59317089
3-[4-[2-[4-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-3-methylbutan-1-ol
CID 142891336
3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-1-ol
CID 139638560
2-methyl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine
CID 62352644
4-[4-(4-amino-2,4-dimethylpentan-2-yl)phenyl]-2,4-dimethylpentan-2-amine
CID 67561114
2,4-dimethyl-4-phenoxypentan-2-amine
CID 91544651
3-methyl-3-pyridin-4-yloxybutan-1-ol
CID 139639068
3-(2,4,4-trimethylpentan-2-yloxy)phenol
CID 70403468
2-(3-fluorophenoxy)-2-methylpropan-1-ol
CID 82075160
2-amino-6-(3-tert-butylphenoxy)-2-methylhexan-1-ol
CID 64807091
2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride
CID 67605594
(3R)-3-amino-3-phenylbutan-1-ol
CID 96656008

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-amino-2,4-dimethylpentan-2-yl)phenoxy]-3-methylbutan-1-ol?
The IUPAC name of 3-[3-(4-amino-2,4-dimethylpentan-2-yl)phenoxy]-3-methylbutan-1-ol (CID 167255420) is 3-[3-(4-amino-2,4-dimethylpentan-2-yl)phenoxy]-3-methylbutan-1-ol.
What is the SMILES notation for 3-[3-(4-amino-2,4-dimethylpentan-2-yl)phenoxy]-3-methylbutan-1-ol?
The canonical SMILES for 3-[3-(4-amino-2,4-dimethylpentan-2-yl)phenoxy]-3-methylbutan-1-ol is CC(C)(N)CC(C)(C)c1cccc(OC(C)(C)CCO)c1.
What is the InChIKey of 3-[3-(4-amino-2,4-dimethylpentan-2-yl)phenoxy]-3-methylbutan-1-ol?
The InChIKey is SHTDTMKDTVUHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-16(2,13-17(3,4)19)14-8-7-9-15(12-14)21-18(5,6)10-11-20/h7-9,12,20H,10-11,13,19H2,1-6H3.
What are the key properties of 3-[3-(4-amino-2,4-dimethylpentan-2-yl)phenoxy]-3-methylbutan-1-ol?
3-[3-(4-amino-2,4-dimethylpentan-2-yl)phenoxy]-3-methylbutan-1-ol has a molecular weight of 293.45 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-amino-2,4-dimethylpentan-2-yl)phenoxy]-3-methylbutan-1-ol is sourced from PubChem (CID 167255420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).