2-[(4-methoxy-3-propan-2-ylanilino)methyl]butan-1-ol

C15H25NO2 — CID 115250495

IUPAC2-[(4-methoxy-3-propan-2-ylanilino)methyl]butan-1-ol
SMILESCCC(CO)CNc1ccc(OC)c(C(C)C)c1
InChIInChI=1S/C15H25NO2/c1-5-12(10-17)9-16-13-6-7-15(18-4)14(8-13)11(2)3/h6-8,11-12,16-17H,5,9-10H2,1-4H3
InChIKeyFEWCLPWSMANSNZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.25
Rot. Bonds7

About 2-[(4-methoxy-3-propan-2-ylanilino)methyl]butan-1-ol

2-[(4-methoxy-3-propan-2-ylanilino)methyl]butan-1-ol (PubChem CID 115250495) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[(4-methoxy-3-propan-2-ylanilino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-[(4-methoxy-3-propan-2-ylanilino)methyl]butan-1-ol
PubChem CID115250495
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-[(4-methoxy-3-propan-2-ylanilino)methyl]butan-1-ol
SMILESCCC(CO)CNc1ccc(OC)c(C(C)C)c1
InChIInChI=1S/C15H25NO2/c1-5-12(10-17)9-16-13-6-7-15(18-4)14(8-13)11(2)3/h6-8,11-12,16-17H,5,9-10H2,1-4H3
InChIKeyFEWCLPWSMANSNZ-UHFFFAOYSA-N
XLogP3.25
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N'-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 115199779
2-(4-methoxy-3-propan-2-ylanilino)ethanethiol
CID 115223639
2-[(4-chloroanilino)methyl]butan-1-ol
CID 15086649
4-(4-methoxy-3-propan-2-ylanilino)butanoic acid
CID 115218421
2-ethyl-N-(3-fluoro-4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 115254755
5-(4-methoxy-3-propan-2-ylanilino)pentanoic acid
CID 115218860
2-(aminomethyl)-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-ol
CID 83926810
methyl 3-(4-methoxy-3-propan-2-ylanilino)-3-oxopropanoate
CID 115174107
N-[(3-aminocyclobutyl)methyl]-4-methoxy-3-propan-2-ylaniline
CID 115213783
(2R)-1-(3,4-dimethoxyanilino)propan-2-ol
CID 39242812
(4-methoxy-3-propan-2-ylphenyl)carbamothioic S-acid
CID 115169665
2-[(2,4-dimethoxy-6-methylanilino)methyl]butan-1-ol
CID 115250575

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3-propan-2-ylanilino)methyl]butan-1-ol?
The IUPAC name of 2-[(4-methoxy-3-propan-2-ylanilino)methyl]butan-1-ol (CID 115250495) is 2-[(4-methoxy-3-propan-2-ylanilino)methyl]butan-1-ol.
What is the SMILES notation for 2-[(4-methoxy-3-propan-2-ylanilino)methyl]butan-1-ol?
The canonical SMILES for 2-[(4-methoxy-3-propan-2-ylanilino)methyl]butan-1-ol is CCC(CO)CNc1ccc(OC)c(C(C)C)c1.
What is the InChIKey of 2-[(4-methoxy-3-propan-2-ylanilino)methyl]butan-1-ol?
The InChIKey is FEWCLPWSMANSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-12(10-17)9-16-13-6-7-15(18-4)14(8-13)11(2)3/h6-8,11-12,16-17H,5,9-10H2,1-4H3.
What are the key properties of 2-[(4-methoxy-3-propan-2-ylanilino)methyl]butan-1-ol?
2-[(4-methoxy-3-propan-2-ylanilino)methyl]butan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3-propan-2-ylanilino)methyl]butan-1-ol is sourced from PubChem (CID 115250495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).