2-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]-3-methylbutan-1-ol

C16H27NO2 — CID 115252188

IUPAC2-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]-3-methylbutan-1-ol
SMILESCOc1ccc(CCNCC(CO)C(C)C)cc1C
InChIInChI=1S/C16H27NO2/c1-12(2)15(11-18)10-17-8-7-14-5-6-16(19-4)13(3)9-14/h5-6,9,12,15,17-18H,7-8,10-11H2,1-4H3
InChIKeyCIIOLVUFQRFFFR-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.40
Rot. Bonds8

About 2-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]-3-methylbutan-1-ol

2-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]-3-methylbutan-1-ol (PubChem CID 115252188) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]-3-methylbutan-1-ol
PubChem CID115252188
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]-3-methylbutan-1-ol
SMILESCOc1ccc(CCNCC(CO)C(C)C)cc1C
InChIInChI=1S/C16H27NO2/c1-12(2)15(11-18)10-17-8-7-14-5-6-16(19-4)13(3)9-14/h5-6,9,12,15,17-18H,7-8,10-11H2,1-4H3
InChIKeyCIIOLVUFQRFFFR-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(5-bromo-2-methoxyphenyl)ethylamino]methyl]-3-methylbutan-1-ol
CID 115252199
3-amino-4-[2-(4-methoxy-3-methylphenyl)ethylamino]butanoic acid
CID 115241806
N-(2-methoxyethyl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 64867078
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252560
N-[2-[2-(4-methoxy-3-methylphenyl)ethoxy]ethyl]-2-methylpropan-1-amine
CID 65303024
N-(hydrazinylmethyl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 115261071
2-[[2-(4-ethoxy-3-methylphenyl)ethylamino]methyl]butan-1-ol
CID 115251012
2-(hydroxymethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide
CID 115186688
(2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 59084850
2-[(4-methoxy-3-methylphenyl)methylamino]propan-1-ol
CID 43776404
1-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine
CID 115256879
2-[[2-(3-bromo-4-methoxyphenyl)ethylamino]methyl]butan-1-ol
CID 115250998

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]-3-methylbutan-1-ol?
The IUPAC name of 2-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]-3-methylbutan-1-ol (CID 115252188) is 2-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]-3-methylbutan-1-ol?
The canonical SMILES for 2-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]-3-methylbutan-1-ol is COc1ccc(CCNCC(CO)C(C)C)cc1C.
What is the InChIKey of 2-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]-3-methylbutan-1-ol?
The InChIKey is CIIOLVUFQRFFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12(2)15(11-18)10-17-8-7-14-5-6-16(19-4)13(3)9-14/h5-6,9,12,15,17-18H,7-8,10-11H2,1-4H3.
What are the key properties of 2-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]-3-methylbutan-1-ol?
2-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]-3-methylbutan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]-3-methylbutan-1-ol is sourced from PubChem (CID 115252188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).