1-(2-octan-2-yloxyphenyl)propan-1-amine

C17H29NO — CID 112678434

IUPAC1-(2-octan-2-yloxyphenyl)propan-1-amine
SMILESCCCCCCC(C)Oc1ccccc1C(N)CC
InChIInChI=1S/C17H29NO/c1-4-6-7-8-11-14(3)19-17-13-10-9-12-15(17)16(18)5-2/h9-10,12-14,16H,4-8,11,18H2,1-3H3
InChIKeyQNYLDOANORZURS-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.83
Rot. Bonds9

About 1-(2-octan-2-yloxyphenyl)propan-1-amine

1-(2-octan-2-yloxyphenyl)propan-1-amine (PubChem CID 112678434) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 1-(2-octan-2-yloxyphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(2-octan-2-yloxyphenyl)propan-1-amine
PubChem CID112678434
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name1-(2-octan-2-yloxyphenyl)propan-1-amine
SMILESCCCCCCC(C)Oc1ccccc1C(N)CC
InChIInChI=1S/C17H29NO/c1-4-6-7-8-11-14(3)19-17-13-10-9-12-15(17)16(18)5-2/h9-10,12-14,16H,4-8,11,18H2,1-3H3
InChIKeyQNYLDOANORZURS-UHFFFAOYSA-N
XLogP4.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(2-octan-2-yloxyphenyl)ethanamine
CID 78937923
1-(difluoromethyl)-2-undecan-2-yloxybenzene
CID 150271588
1-(2-ethoxyphenyl)-2-octan-2-yloxyethanamine
CID 43127460
1-(2-decoxyphenyl)propan-1-amine
CID 63501298
1-(2-nonoxyphenyl)propan-1-amine
CID 43129040
(1R)-1-(2-decoxyphenyl)propan-1-amine
CID 63485887
(1S)-1-(2-propan-2-yloxyphenyl)pentan-1-amine
CID 171231533
decan-2-yloxybenzene
CID 12838331
1-fluoro-2-[(2R)-heptan-2-yl]oxybenzene
CID 14766294
1-(2-propoxyphenyl)nonan-1-amine
CID 105035941
1-[(2S)-octan-2-yl]oxy-2-phenylbenzene
CID 122219918
1-nonan-2-yloxy-2-(trifluoromethyl)benzene
CID 130445178

Frequently Asked Questions

What is the IUPAC name of 1-(2-octan-2-yloxyphenyl)propan-1-amine?
The IUPAC name of 1-(2-octan-2-yloxyphenyl)propan-1-amine (CID 112678434) is 1-(2-octan-2-yloxyphenyl)propan-1-amine.
What is the SMILES notation for 1-(2-octan-2-yloxyphenyl)propan-1-amine?
The canonical SMILES for 1-(2-octan-2-yloxyphenyl)propan-1-amine is CCCCCCC(C)Oc1ccccc1C(N)CC.
What is the InChIKey of 1-(2-octan-2-yloxyphenyl)propan-1-amine?
The InChIKey is QNYLDOANORZURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-6-7-8-11-14(3)19-17-13-10-9-12-15(17)16(18)5-2/h9-10,12-14,16H,4-8,11,18H2,1-3H3.
What are the key properties of 1-(2-octan-2-yloxyphenyl)propan-1-amine?
1-(2-octan-2-yloxyphenyl)propan-1-amine has a molecular weight of 263.42 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-octan-2-yloxyphenyl)propan-1-amine is sourced from PubChem (CID 112678434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).