1-(tert-butylamino)-2-(3-cyclopropyloxyphenyl)propan-2-ol

C16H25NO2 — CID 114523447

IUPAC1-(tert-butylamino)-2-(3-cyclopropyloxyphenyl)propan-2-ol
SMILESCC(C)(C)NCC(C)(O)c1cccc(OC2CC2)c1
InChIInChI=1S/C16H25NO2/c1-15(2,3)17-11-16(4,18)12-6-5-7-14(10-12)19-13-8-9-13/h5-7,10,13,17-18H,8-9,11H2,1-4H3
InChIKeyNNNPAFZXBBUHIA-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.82
Rot. Bonds5

About 1-(tert-butylamino)-2-(3-cyclopropyloxyphenyl)propan-2-ol

1-(tert-butylamino)-2-(3-cyclopropyloxyphenyl)propan-2-ol (PubChem CID 114523447) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(tert-butylamino)-2-(3-cyclopropyloxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-2-(3-cyclopropyloxyphenyl)propan-2-ol
PubChem CID114523447
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(tert-butylamino)-2-(3-cyclopropyloxyphenyl)propan-2-ol
SMILESCC(C)(C)NCC(C)(O)c1cccc(OC2CC2)c1
InChIInChI=1S/C16H25NO2/c1-15(2,3)17-11-16(4,18)12-6-5-7-14(10-12)19-13-8-9-13/h5-7,10,13,17-18H,8-9,11H2,1-4H3
InChIKeyNNNPAFZXBBUHIA-UHFFFAOYSA-N
XLogP2.82
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(tert-butylamino)-2-(3-cyclopropyloxyphenyl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-2-(3-cyclopropyloxyphenyl)butan-2-ol
CID 114523428
1-(3-cyclopropyloxyphenyl)-1-phenylethanol
CID 114520749
4-[1-(3-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol
CID 114521016
1-(3-cyclopropyloxyphenyl)-1-(2-methylphenyl)ethanol
CID 114520751
3-(3-cyclopropyloxyphenyl)-2-methylpentan-3-ol
CID 114520776
4-(3-cyclopropyloxyphenyl)-N,4-dimethylpentan-2-amine
CID 114523014
N-[(3-cyclohexyloxyphenyl)methyl]-2-methylpropan-2-amine
CID 55148555
1-(tert-butylamino)-2-(4-cyclobutylphenyl)propan-2-ol
CID 116507022
(2S)-2-(3-ethoxyphenyl)pentan-2-ol
CID 97048517
1-(3-cyclopropyloxyphenyl)-2-hydroxy-2-methylbutan-1-one
CID 103446837
3-(3-tert-butylphenoxy)-N-methylcyclohexan-1-amine
CID 79618131
1-(tert-butylamino)-2-(4-ethoxyphenyl)propan-2-ol
CID 62773212

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-2-(3-cyclopropyloxyphenyl)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-2-(3-cyclopropyloxyphenyl)propan-2-ol (CID 114523447) is 1-(tert-butylamino)-2-(3-cyclopropyloxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-2-(3-cyclopropyloxyphenyl)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-2-(3-cyclopropyloxyphenyl)propan-2-ol is CC(C)(C)NCC(C)(O)c1cccc(OC2CC2)c1.
What is the InChIKey of 1-(tert-butylamino)-2-(3-cyclopropyloxyphenyl)propan-2-ol?
The InChIKey is NNNPAFZXBBUHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-15(2,3)17-11-16(4,18)12-6-5-7-14(10-12)19-13-8-9-13/h5-7,10,13,17-18H,8-9,11H2,1-4H3.
What are the key properties of 1-(tert-butylamino)-2-(3-cyclopropyloxyphenyl)propan-2-ol?
1-(tert-butylamino)-2-(3-cyclopropyloxyphenyl)propan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-2-(3-cyclopropyloxyphenyl)propan-2-ol is sourced from PubChem (CID 114523447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).