5-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pentan-1-ol

C16H27NO2 — CID 65486301

IUPAC5-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pentan-1-ol
SMILESCOc1ccccc1CC(C)N(C)CCCCCO
InChIInChI=1S/C16H27NO2/c1-14(17(2)11-7-4-8-12-18)13-15-9-5-6-10-16(15)19-3/h5-6,9-10,14,18H,4,7-8,11-13H2,1-3H3
InChIKeyGVLIYMBIACMJMU-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.72
Rot. Bonds9

About 5-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pentan-1-ol

5-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pentan-1-ol (PubChem CID 65486301) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 5-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pentan-1-ol
PubChem CID65486301
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name5-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pentan-1-ol
SMILESCOc1ccccc1CC(C)N(C)CCCCCO
InChIInChI=1S/C16H27NO2/c1-14(17(2)11-7-4-8-12-18)13-15-9-5-6-10-16(15)19-3/h5-6,9-10,14,18H,4,7-8,11-13H2,1-3H3
InChIKeyGVLIYMBIACMJMU-UHFFFAOYSA-N
XLogP2.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-hydroxy-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide
CID 77070449
4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-methylbutan-2-ol
CID 79361996
3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propanenitrile
CID 65487029
2-amino-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid
CID 65486323
1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbutane-1,2-diamine
CID 65487594
5-[ethyl-[1-(2-methoxyphenyl)propan-2-yl]amino]pentan-1-ol;3,4,5-trimethoxybenzoic acid
CID 21152653
3-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propan-1-ol
CID 104711070
trifluoro-[3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]prop-1-en-2-yl]boranuide
CID 106746134
N-(1-cyclopropylethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methylethane-1,2-diamine
CID 65487899
N-[(4-iodophenyl)methyl]-1-(2-methoxyphenyl)-N-methylpropan-2-amine
CID 65486312
1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66454325
4-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylbut-2-en-1-amine
CID 77070468

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pentan-1-ol?
The IUPAC name of 5-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pentan-1-ol (CID 65486301) is 5-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pentan-1-ol?
The canonical SMILES for 5-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pentan-1-ol is COc1ccccc1CC(C)N(C)CCCCCO.
What is the InChIKey of 5-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pentan-1-ol?
The InChIKey is GVLIYMBIACMJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-14(17(2)11-7-4-8-12-18)13-15-9-5-6-10-16(15)19-3/h5-6,9-10,14,18H,4,7-8,11-13H2,1-3H3.
What are the key properties of 5-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pentan-1-ol?
5-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pentan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pentan-1-ol is sourced from PubChem (CID 65486301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).