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

C16H27NO2 — CID 82314100

IUPAC2-(butan-2-ylamino)-1-(4-propoxyphenyl)propan-1-ol
SMILESCCCOc1ccc(C(O)C(C)NC(C)CC)cc1
InChIInChI=1S/C16H27NO2/c1-5-11-19-15-9-7-14(8-10-15)16(18)13(4)17-12(3)6-2/h7-10,12-13,16-18H,5-6,11H2,1-4H3
InChIKeyCNIHGALFMAALMZ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.29
Rot. Bonds8

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

2-(butan-2-ylamino)-1-(4-propoxyphenyl)propan-1-ol (PubChem CID 82314100) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-1-(4-propoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(butan-2-ylamino)-1-(4-propoxyphenyl)propan-1-ol
PubChem CID82314100
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-(butan-2-ylamino)-1-(4-propoxyphenyl)propan-1-ol
SMILESCCCOc1ccc(C(O)C(C)NC(C)CC)cc1
InChIInChI=1S/C16H27NO2/c1-5-11-19-15-9-7-14(8-10-15)16(18)13(4)17-12(3)6-2/h7-10,12-13,16-18H,5-6,11H2,1-4H3
InChIKeyCNIHGALFMAALMZ-UHFFFAOYSA-N
XLogP3.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(butan-2-ylamino)-1-(4-propoxyphenyl)propan-1-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

2-(butan-2-ylamino)-2-(4-propoxyphenyl)ethanol
CID 62496976
2-[[1-hydroxy-1-(4-propoxyphenyl)propan-2-yl]amino]acetic acid
CID 82314103
3-methyl-1-(4-propoxyphenyl)butane-1,2-diol
CID 103456682
2-(butan-2-ylamino)-1-(4-chlorophenyl)propan-1-ol
CID 82312960
1-(4-butoxyphenyl)-2-methylbutan-1-ol
CID 105116550
4-[1-(4-propoxyphenyl)ethylamino]butan-2-ol
CID 64913817
1-(1-hydroperoxyethyl)-4-propoxybenzene
CID 11241018
4-[1-hydroxy-2-(1-propoxypropan-2-ylamino)propyl]phenol
CID 141426889
N-[(2S)-butan-2-yl]-4-(4-propoxyphenoxy)butan-1-amine
CID 2183457
(2S)-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 28610490
(2R)-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 28610492
N-butan-2-yl-4-propoxyaniline
CID 21311789

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-1-(4-propoxyphenyl)propan-1-ol?
The IUPAC name of 2-(butan-2-ylamino)-1-(4-propoxyphenyl)propan-1-ol (CID 82314100) is 2-(butan-2-ylamino)-1-(4-propoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-(butan-2-ylamino)-1-(4-propoxyphenyl)propan-1-ol?
The canonical SMILES for 2-(butan-2-ylamino)-1-(4-propoxyphenyl)propan-1-ol is CCCOc1ccc(C(O)C(C)NC(C)CC)cc1.
What is the InChIKey of 2-(butan-2-ylamino)-1-(4-propoxyphenyl)propan-1-ol?
The InChIKey is CNIHGALFMAALMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-11-19-15-9-7-14(8-10-15)16(18)13(4)17-12(3)6-2/h7-10,12-13,16-18H,5-6,11H2,1-4H3.
What are the key properties of 2-(butan-2-ylamino)-1-(4-propoxyphenyl)propan-1-ol?
2-(butan-2-ylamino)-1-(4-propoxyphenyl)propan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-1-(4-propoxyphenyl)propan-1-ol is sourced from PubChem (CID 82314100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).