2-(butylamino)-1-(4-methoxyphenyl)propan-1-ol

C14H23NO2 — CID 82313866

IUPAC2-(butylamino)-1-(4-methoxyphenyl)propan-1-ol
SMILESCCCCNC(C)C(O)c1ccc(OC)cc1
InChIInChI=1S/C14H23NO2/c1-4-5-10-15-11(2)14(16)12-6-8-13(17-3)9-7-12/h6-9,11,14-16H,4-5,10H2,1-3H3
InChIKeyJXXKVGBRTPZXIP-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.51
Rot. Bonds7

About 2-(butylamino)-1-(4-methoxyphenyl)propan-1-ol

2-(butylamino)-1-(4-methoxyphenyl)propan-1-ol (PubChem CID 82313866) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(butylamino)-1-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(butylamino)-1-(4-methoxyphenyl)propan-1-ol
PubChem CID82313866
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(butylamino)-1-(4-methoxyphenyl)propan-1-ol
SMILESCCCCNC(C)C(O)c1ccc(OC)cc1
InChIInChI=1S/C14H23NO2/c1-4-5-10-15-11(2)14(16)12-6-8-13(17-3)9-7-12/h6-9,11,14-16H,4-5,10H2,1-3H3
InChIKeyJXXKVGBRTPZXIP-UHFFFAOYSA-N
XLogP2.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(butylamino)-1-(4-methoxyphenyl)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-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-ol
CID 82314177
2-(hexylamino)-1-(4-methoxyphenyl)butan-1-ol
CID 82313925
2-[[3-hydroxy-3-(4-methoxyphenyl)propyl]amino]-1-phenylpropan-1-ol
CID 110174261
3-butoxy-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 115704468
4-[[1-(4-ethoxyphenyl)-1-hydroxypropan-2-yl]amino]butanoic acid
CID 82314024
1-(4-methylphenyl)-2-(propylamino)propan-1-ol
CID 82312296
N,N'-dihexyl-1,2-bis(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 45262997
1-(4-methoxyphenyl)decane-1,2-diol
CID 77411526
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
(1S,2S)-2-[(4-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
CID 10912623
N-[(1S,2S)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-2-pentylsulfonylacetamide
CID 97246800
3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 122190796

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-1-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of 2-(butylamino)-1-(4-methoxyphenyl)propan-1-ol (CID 82313866) is 2-(butylamino)-1-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-(butylamino)-1-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 2-(butylamino)-1-(4-methoxyphenyl)propan-1-ol is CCCCNC(C)C(O)c1ccc(OC)cc1.
What is the InChIKey of 2-(butylamino)-1-(4-methoxyphenyl)propan-1-ol?
The InChIKey is JXXKVGBRTPZXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-5-10-15-11(2)14(16)12-6-8-13(17-3)9-7-12/h6-9,11,14-16H,4-5,10H2,1-3H3.
What are the key properties of 2-(butylamino)-1-(4-methoxyphenyl)propan-1-ol?
2-(butylamino)-1-(4-methoxyphenyl)propan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-1-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 82313866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).