1-[(2-heptoxyphenyl)methylamino]propan-2-ol

C17H29NO2 — CID 54849266

IUPAC1-[(2-heptoxyphenyl)methylamino]propan-2-ol
SMILESCCCCCCCOc1ccccc1CNCC(C)O
InChIInChI=1S/C17H29NO2/c1-3-4-5-6-9-12-20-17-11-8-7-10-16(17)14-18-13-15(2)19/h7-8,10-11,15,18-19H,3-6,9,12-14H2,1-2H3
InChIKeyLTIZFNNFZKFLBO-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.51
Rot. Bonds11

About 1-[(2-heptoxyphenyl)methylamino]propan-2-ol

1-[(2-heptoxyphenyl)methylamino]propan-2-ol (PubChem CID 54849266) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-[(2-heptoxyphenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(2-heptoxyphenyl)methylamino]propan-2-ol
PubChem CID54849266
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-[(2-heptoxyphenyl)methylamino]propan-2-ol
SMILESCCCCCCCOc1ccccc1CNCC(C)O
InChIInChI=1S/C17H29NO2/c1-3-4-5-6-9-12-20-17-11-8-7-10-16(17)14-18-13-15(2)19/h7-8,10-11,15,18-19H,3-6,9,12-14H2,1-2H3
InChIKeyLTIZFNNFZKFLBO-UHFFFAOYSA-N
XLogP3.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.51
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

N-[(2-hexoxyphenyl)methyl]hexan-1-amine
CID 54807624
N-[(2-pentoxyphenyl)methyl]octan-1-amine
CID 54807880
N-[(2-decoxyphenyl)methyl]octadecan-1-amine;hydrochloride
CID 171669194
1-cyclopropyl-N-[(2-hexoxyphenyl)methyl]methanamine
CID 54805002
2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine
CID 63485820
N-[(2-propoxyphenyl)methyl]hexan-1-amine
CID 29221808
1-(2-methylphenyl)-N-[(2-pentoxyphenyl)methyl]methanamine
CID 54803563
N-[(2-heptoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847955
N-[(2-hexoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63487393
(2S)-1-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51675528
1-[2-[(2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 2967945
(2S)-1-[(4-hexoxyphenyl)methylamino]propan-2-ol
CID 46872164

Frequently Asked Questions

What is the IUPAC name of 1-[(2-heptoxyphenyl)methylamino]propan-2-ol?
The IUPAC name of 1-[(2-heptoxyphenyl)methylamino]propan-2-ol (CID 54849266) is 1-[(2-heptoxyphenyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-[(2-heptoxyphenyl)methylamino]propan-2-ol?
The canonical SMILES for 1-[(2-heptoxyphenyl)methylamino]propan-2-ol is CCCCCCCOc1ccccc1CNCC(C)O.
What is the InChIKey of 1-[(2-heptoxyphenyl)methylamino]propan-2-ol?
The InChIKey is LTIZFNNFZKFLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-3-4-5-6-9-12-20-17-11-8-7-10-16(17)14-18-13-15(2)19/h7-8,10-11,15,18-19H,3-6,9,12-14H2,1-2H3.
What are the key properties of 1-[(2-heptoxyphenyl)methylamino]propan-2-ol?
1-[(2-heptoxyphenyl)methylamino]propan-2-ol has a molecular weight of 279.42 g/mol, XLogP of 3.51, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-heptoxyphenyl)methylamino]propan-2-ol is sourced from PubChem (CID 54849266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).