2-amino-2-methyl-4-(4-phenylphenoxy)pentan-1-ol

C18H23NO2 — CID 64811877

IUPAC2-amino-2-methyl-4-(4-phenylphenoxy)pentan-1-ol
SMILESCC(CC(C)(N)CO)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c1-14(12-18(2,19)13-20)21-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14,20H,12-13,19H2,1-2H3
InChIKeyQHEOWDHQKMESIP-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.22
Rot. Bonds6

About 2-amino-2-methyl-4-(4-phenylphenoxy)pentan-1-ol

2-amino-2-methyl-4-(4-phenylphenoxy)pentan-1-ol (PubChem CID 64811877) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-amino-2-methyl-4-(4-phenylphenoxy)pentan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-4-(4-phenylphenoxy)pentan-1-ol
PubChem CID64811877
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-amino-2-methyl-4-(4-phenylphenoxy)pentan-1-ol
SMILESCC(CC(C)(N)CO)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c1-14(12-18(2,19)13-20)21-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14,20H,12-13,19H2,1-2H3
InChIKeyQHEOWDHQKMESIP-UHFFFAOYSA-N
XLogP3.22
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(4-methoxyphenoxy)-2-methylpentan-1-ol
CID 64802307
2-amino-2-methyl-4-[4-(2-methylbutan-2-yl)phenoxy]pentan-1-ol
CID 64802073
(2S)-2-(4-phenylphenoxy)propan-1-ol
CID 57166864
2-amino-4-(3-methoxyphenoxy)-2-methylpentan-1-ol
CID 64805220
2-amino-2-methyl-4-naphthalen-1-yloxypentan-1-ol
CID 64804569
2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentan-1-ol
CID 64804774
2-amino-2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentan-1-ol
CID 64810416
1-amino-2-methyl-4-phenoxypentan-2-ol
CID 64814843
2-amino-4-(2,4-dimethylphenoxy)-2-methylpentan-1-ol
CID 64802229
4,4-dimethylhexan-2-yloxybenzene
CID 143103780
2-amino-4-(2-fluoro-5-methylphenoxy)-2-methylpentan-1-ol
CID 64855547
2-amino-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol
CID 64810374

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-(4-phenylphenoxy)pentan-1-ol?
The IUPAC name of 2-amino-2-methyl-4-(4-phenylphenoxy)pentan-1-ol (CID 64811877) is 2-amino-2-methyl-4-(4-phenylphenoxy)pentan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-4-(4-phenylphenoxy)pentan-1-ol?
The canonical SMILES for 2-amino-2-methyl-4-(4-phenylphenoxy)pentan-1-ol is CC(CC(C)(N)CO)Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-amino-2-methyl-4-(4-phenylphenoxy)pentan-1-ol?
The InChIKey is QHEOWDHQKMESIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14(12-18(2,19)13-20)21-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14,20H,12-13,19H2,1-2H3.
What are the key properties of 2-amino-2-methyl-4-(4-phenylphenoxy)pentan-1-ol?
2-amino-2-methyl-4-(4-phenylphenoxy)pentan-1-ol has a molecular weight of 285.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-(4-phenylphenoxy)pentan-1-ol is sourced from PubChem (CID 64811877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).