2-methyl-5-[(2-propan-2-yloxyphenyl)methylamino]pentan-1-ol

C16H27NO2 — CID 103859618

IUPAC2-methyl-5-[(2-propan-2-yloxyphenyl)methylamino]pentan-1-ol
SMILESCC(CO)CCCNCc1ccccc1OC(C)C
InChIInChI=1S/C16H27NO2/c1-13(2)19-16-9-5-4-8-15(16)11-17-10-6-7-14(3)12-18/h4-5,8-9,13-14,17-18H,6-7,10-12H2,1-3H3
InChIKeyXFMOFOSHQHYRSE-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.97
Rot. Bonds9

About 2-methyl-5-[(2-propan-2-yloxyphenyl)methylamino]pentan-1-ol

2-methyl-5-[(2-propan-2-yloxyphenyl)methylamino]pentan-1-ol (PubChem CID 103859618) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-methyl-5-[(2-propan-2-yloxyphenyl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name2-methyl-5-[(2-propan-2-yloxyphenyl)methylamino]pentan-1-ol
PubChem CID103859618
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-methyl-5-[(2-propan-2-yloxyphenyl)methylamino]pentan-1-ol
SMILESCC(CO)CCCNCc1ccccc1OC(C)C
InChIInChI=1S/C16H27NO2/c1-13(2)19-16-9-5-4-8-15(16)11-17-10-6-7-14(3)12-18/h4-5,8-9,13-14,17-18H,6-7,10-12H2,1-3H3
InChIKeyXFMOFOSHQHYRSE-UHFFFAOYSA-N
XLogP2.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.97
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

3-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 115733033
3-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43220682
3-methylsulfonyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 54904730
(2S)-1-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51675528
5-[(2,3-dichlorophenyl)methylamino]-2-methylpentan-1-ol
CID 103859612
N-[(2-propan-2-yloxyphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43225581
(2S)-3-methyl-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol
CID 79254170
2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol chloride
CID 53351262
2-methyl-5-[(2,4,5-trimethoxyphenyl)methylamino]pentan-1-ol
CID 103859360
2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine
CID 114615444
1-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-3-ol
CID 111468040
5-[2-(2-ethoxyphenoxy)ethylamino]-2-methylpentan-1-ol
CID 106160266

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-propan-2-yloxyphenyl)methylamino]pentan-1-ol?
The IUPAC name of 2-methyl-5-[(2-propan-2-yloxyphenyl)methylamino]pentan-1-ol (CID 103859618) is 2-methyl-5-[(2-propan-2-yloxyphenyl)methylamino]pentan-1-ol.
What is the SMILES notation for 2-methyl-5-[(2-propan-2-yloxyphenyl)methylamino]pentan-1-ol?
The canonical SMILES for 2-methyl-5-[(2-propan-2-yloxyphenyl)methylamino]pentan-1-ol is CC(CO)CCCNCc1ccccc1OC(C)C.
What is the InChIKey of 2-methyl-5-[(2-propan-2-yloxyphenyl)methylamino]pentan-1-ol?
The InChIKey is XFMOFOSHQHYRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13(2)19-16-9-5-4-8-15(16)11-17-10-6-7-14(3)12-18/h4-5,8-9,13-14,17-18H,6-7,10-12H2,1-3H3.
What are the key properties of 2-methyl-5-[(2-propan-2-yloxyphenyl)methylamino]pentan-1-ol?
2-methyl-5-[(2-propan-2-yloxyphenyl)methylamino]pentan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-propan-2-yloxyphenyl)methylamino]pentan-1-ol is sourced from PubChem (CID 103859618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).