5-[(3,5-dimethoxyphenyl)methylamino]-2-methylpentan-1-ol

C15H25NO3 — CID 103859647

IUPAC5-[(3,5-dimethoxyphenyl)methylamino]-2-methylpentan-1-ol
SMILESCOc1cc(CNCCCC(C)CO)cc(OC)c1
InChIInChI=1S/C15H25NO3/c1-12(11-17)5-4-6-16-10-13-7-14(18-2)9-15(8-13)19-3/h7-9,12,16-17H,4-6,10-11H2,1-3H3
InChIKeyFFKQQBBBUNYZMD-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.20
Rot. Bonds9

About 5-[(3,5-dimethoxyphenyl)methylamino]-2-methylpentan-1-ol

5-[(3,5-dimethoxyphenyl)methylamino]-2-methylpentan-1-ol (PubChem CID 103859647) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 5-[(3,5-dimethoxyphenyl)methylamino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[(3,5-dimethoxyphenyl)methylamino]-2-methylpentan-1-ol
PubChem CID103859647
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name5-[(3,5-dimethoxyphenyl)methylamino]-2-methylpentan-1-ol
SMILESCOc1cc(CNCCCC(C)CO)cc(OC)c1
InChIInChI=1S/C15H25NO3/c1-12(11-17)5-4-6-16-10-13-7-14(18-2)9-15(8-13)19-3/h7-9,12,16-17H,4-6,10-11H2,1-3H3
InChIKeyFFKQQBBBUNYZMD-UHFFFAOYSA-N
XLogP2.20
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[(5-hydroxy-4-methylpentyl)amino]methyl]-2-methoxyphenol
CID 113340286
2-methyl-5-[(2,4,5-trimethoxyphenyl)methylamino]pentan-1-ol
CID 103859360
N-[(3,5-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine
CID 28674357
5-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]-2-methylpentan-1-ol
CID 103859589
2-[(3,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol
CID 61245963
2-methyl-5-[[4-(3-methylbutoxy)phenyl]methylamino]pentan-1-ol
CID 103859561
5-[(3-bromophenyl)methylamino]-2-methylpentan-1-ol
CID 103859555
5-[(3-bromo-4-methylphenyl)methylamino]-2-methylpentan-1-ol
CID 113344574
5-[(3-chloro-4-methylphenyl)methylamino]-2-methylpentan-1-ol
CID 106833862
N'-tert-butyl-N-[(3,5-dimethoxyphenyl)methyl]propane-1,3-diamine
CID 115572730
5-[(4-fluoro-3-methylphenyl)methylamino]-2-methylpentan-1-ol
CID 113340247
N-[(3,5-dimethoxyphenyl)methyl]-3-propoxypropan-1-amine
CID 82939930

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethoxyphenyl)methylamino]-2-methylpentan-1-ol?
The IUPAC name of 5-[(3,5-dimethoxyphenyl)methylamino]-2-methylpentan-1-ol (CID 103859647) is 5-[(3,5-dimethoxyphenyl)methylamino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[(3,5-dimethoxyphenyl)methylamino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[(3,5-dimethoxyphenyl)methylamino]-2-methylpentan-1-ol is COc1cc(CNCCCC(C)CO)cc(OC)c1.
What is the InChIKey of 5-[(3,5-dimethoxyphenyl)methylamino]-2-methylpentan-1-ol?
The InChIKey is FFKQQBBBUNYZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-12(11-17)5-4-6-16-10-13-7-14(18-2)9-15(8-13)19-3/h7-9,12,16-17H,4-6,10-11H2,1-3H3.
What are the key properties of 5-[(3,5-dimethoxyphenyl)methylamino]-2-methylpentan-1-ol?
5-[(3,5-dimethoxyphenyl)methylamino]-2-methylpentan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethoxyphenyl)methylamino]-2-methylpentan-1-ol is sourced from PubChem (CID 103859647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).