2-methyl-2-[(4-pentoxyphenyl)methylamino]propan-1-ol

C16H27NO2 — CID 28725557

IUPAC2-methyl-2-[(4-pentoxyphenyl)methylamino]propan-1-ol
SMILESCCCCCOc1ccc(CNC(C)(C)CO)cc1
InChIInChI=1S/C16H27NO2/c1-4-5-6-11-19-15-9-7-14(8-10-15)12-17-16(2,3)13-18/h7-10,17-18H,4-6,11-13H2,1-3H3
InChIKeyMTTYJVWNWGOPCU-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.12
Rot. Bonds9

About 2-methyl-2-[(4-pentoxyphenyl)methylamino]propan-1-ol

2-methyl-2-[(4-pentoxyphenyl)methylamino]propan-1-ol (PubChem CID 28725557) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-methyl-2-[(4-pentoxyphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(4-pentoxyphenyl)methylamino]propan-1-ol
PubChem CID28725557
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-methyl-2-[(4-pentoxyphenyl)methylamino]propan-1-ol
SMILESCCCCCOc1ccc(CNC(C)(C)CO)cc1
InChIInChI=1S/C16H27NO2/c1-4-5-6-11-19-15-9-7-14(8-10-15)12-17-16(2,3)13-18/h7-10,17-18H,4-6,11-13H2,1-3H3
InChIKeyMTTYJVWNWGOPCU-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
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-(hydroxymethyl)-2-[(4-tetradecoxyphenyl)methylamino]propane-1,3-diol;hydrochloride
CID 71612675
2-methyl-2-[(4-prop-2-enoxyphenyl)methylamino]propan-1-ol
CID 2958853
5-[4-[(tert-butylamino)methyl]phenoxy]pentan-1-ol
CID 63062040
N-[(4-octoxyphenyl)methyl]hydroxylamine
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N-[(4-butoxyphenyl)methyl]-4-hexoxyaniline
CID 54798833
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CID 54799653
N-[(4-hexoxyphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 54805408
1,4-dipentoxybenzene
CID 18314717
N-[(4-butoxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 104827685
3-[[(4-pentoxyphenyl)methylamino]methyl]pentan-3-ol
CID 62059388
N-[(4-pentoxyphenyl)methyl]propan-2-amine
CID 29288376
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CID 54807832

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(4-pentoxyphenyl)methylamino]propan-1-ol?
The IUPAC name of 2-methyl-2-[(4-pentoxyphenyl)methylamino]propan-1-ol (CID 28725557) is 2-methyl-2-[(4-pentoxyphenyl)methylamino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[(4-pentoxyphenyl)methylamino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[(4-pentoxyphenyl)methylamino]propan-1-ol is CCCCCOc1ccc(CNC(C)(C)CO)cc1.
What is the InChIKey of 2-methyl-2-[(4-pentoxyphenyl)methylamino]propan-1-ol?
The InChIKey is MTTYJVWNWGOPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-5-6-11-19-15-9-7-14(8-10-15)12-17-16(2,3)13-18/h7-10,17-18H,4-6,11-13H2,1-3H3.
What are the key properties of 2-methyl-2-[(4-pentoxyphenyl)methylamino]propan-1-ol?
2-methyl-2-[(4-pentoxyphenyl)methylamino]propan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 3.12, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(4-pentoxyphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 28725557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).