2-(propan-2-ylamino)-4-(2-propoxyphenoxy)butan-1-ol

C16H27NO3 — CID 64805286

IUPAC2-(propan-2-ylamino)-4-(2-propoxyphenoxy)butan-1-ol
SMILESCCCOc1ccccc1OCCC(CO)NC(C)C
InChIInChI=1S/C16H27NO3/c1-4-10-19-15-7-5-6-8-16(15)20-11-9-14(12-18)17-13(2)3/h5-8,13-14,17-18H,4,9-12H2,1-3H3
InChIKeyGZDAOQRGWRHPCR-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.60
Rot. Bonds10

About 2-(propan-2-ylamino)-4-(2-propoxyphenoxy)butan-1-ol

2-(propan-2-ylamino)-4-(2-propoxyphenoxy)butan-1-ol (PubChem CID 64805286) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-4-(2-propoxyphenoxy)butan-1-ol.

Molecular Properties

Compound Name2-(propan-2-ylamino)-4-(2-propoxyphenoxy)butan-1-ol
PubChem CID64805286
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-(propan-2-ylamino)-4-(2-propoxyphenoxy)butan-1-ol
SMILESCCCOc1ccccc1OCCC(CO)NC(C)C
InChIInChI=1S/C16H27NO3/c1-4-10-19-15-7-5-6-8-16(15)20-11-9-14(12-18)17-13(2)3/h5-8,13-14,17-18H,4,9-12H2,1-3H3
InChIKeyGZDAOQRGWRHPCR-UHFFFAOYSA-N
XLogP2.60
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-difluorophenoxy)-2-(propan-2-ylamino)butan-1-ol
CID 64809311
4-(2-methoxyphenoxy)-2-(methylamino)butan-1-ol
CID 64803973
4-(2-propoxyphenoxy)butan-2-amine
CID 43118980
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-(propan-2-ylamino)butan-1-ol
CID 64804395
N-[(1R)-1-(2-propoxyphenyl)ethyl]propan-2-amine
CID 100555774
2-(propan-2-ylamino)-4-(2,3,5-trimethylphenoxy)butan-1-ol
CID 64805200
2-(ethylamino)-4-naphthalen-1-yloxybutan-1-ol
CID 22754998
1-(2-propoxyphenyl)ethanol
CID 43503976
ethyl 4-(2-methoxyphenoxy)-2-(propan-2-ylamino)butanoate
CID 63039911
1-cyclopentyl-2-(2-propoxyphenoxy)ethanol
CID 104753565
4-(2-methoxyphenoxy)-2-methylbutan-1-ol
CID 66060440
3-methyl-N-[2-(2-propoxyphenoxy)ethyl]butan-1-amine;hydrochloride
CID 117067339

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-4-(2-propoxyphenoxy)butan-1-ol?
The IUPAC name of 2-(propan-2-ylamino)-4-(2-propoxyphenoxy)butan-1-ol (CID 64805286) is 2-(propan-2-ylamino)-4-(2-propoxyphenoxy)butan-1-ol.
What is the SMILES notation for 2-(propan-2-ylamino)-4-(2-propoxyphenoxy)butan-1-ol?
The canonical SMILES for 2-(propan-2-ylamino)-4-(2-propoxyphenoxy)butan-1-ol is CCCOc1ccccc1OCCC(CO)NC(C)C.
What is the InChIKey of 2-(propan-2-ylamino)-4-(2-propoxyphenoxy)butan-1-ol?
The InChIKey is GZDAOQRGWRHPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-4-10-19-15-7-5-6-8-16(15)20-11-9-14(12-18)17-13(2)3/h5-8,13-14,17-18H,4,9-12H2,1-3H3.
What are the key properties of 2-(propan-2-ylamino)-4-(2-propoxyphenoxy)butan-1-ol?
2-(propan-2-ylamino)-4-(2-propoxyphenoxy)butan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 2.60, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-4-(2-propoxyphenoxy)butan-1-ol is sourced from PubChem (CID 64805286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).