1-(2-decoxyphenyl)propan-1-amine

C19H33NO — CID 63501298

IUPAC1-(2-decoxyphenyl)propan-1-amine
SMILESCCCCCCCCCCOc1ccccc1C(N)CC
InChIInChI=1S/C19H33NO/c1-3-5-6-7-8-9-10-13-16-21-19-15-12-11-14-17(19)18(20)4-2/h11-12,14-15,18H,3-10,13,16,20H2,1-2H3
InChIKeyYLSZZUHAYSHPII-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.62
Rot. Bonds12

About 1-(2-decoxyphenyl)propan-1-amine

1-(2-decoxyphenyl)propan-1-amine (PubChem CID 63501298) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-(2-decoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(2-decoxyphenyl)propan-1-amine
PubChem CID63501298
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1-(2-decoxyphenyl)propan-1-amine
SMILESCCCCCCCCCCOc1ccccc1C(N)CC
InChIInChI=1S/C19H33NO/c1-3-5-6-7-8-9-10-13-16-21-19-15-12-11-14-17(19)18(20)4-2/h11-12,14-15,18H,3-10,13,16,20H2,1-2H3
InChIKeyYLSZZUHAYSHPII-UHFFFAOYSA-N
XLogP5.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.62
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

1-(2-nonoxyphenyl)propan-1-amine
CID 43129040
(1R)-1-(2-decoxyphenyl)propan-1-amine
CID 63485887
5-[2-[(1S)-1-aminopropyl]phenoxy]pentan-1-ol
CID 78933156
(1S)-1-(2-heptoxyphenyl)ethanamine
CID 78936557
(1S)-1-(2-octoxyphenyl)ethanamine
CID 78944069
1-(2-propoxyphenyl)nonan-1-amine
CID 105035941
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
1-octoxy-2-propan-2-ylbenzene
CID 64765685
(1S)-1-(2-heptoxyphenyl)propan-1-ol
CID 78944609
(1S)-1-(2-hexoxyphenyl)propan-1-ol
CID 78930140
1-(2-heptoxyphenyl)propan-1-ol
CID 43503487
(1S)-1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-1-amine
CID 103402915

Frequently Asked Questions

What is the IUPAC name of 1-(2-decoxyphenyl)propan-1-amine?
The IUPAC name of 1-(2-decoxyphenyl)propan-1-amine (CID 63501298) is 1-(2-decoxyphenyl)propan-1-amine.
What is the SMILES notation for 1-(2-decoxyphenyl)propan-1-amine?
The canonical SMILES for 1-(2-decoxyphenyl)propan-1-amine is CCCCCCCCCCOc1ccccc1C(N)CC.
What is the InChIKey of 1-(2-decoxyphenyl)propan-1-amine?
The InChIKey is YLSZZUHAYSHPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-3-5-6-7-8-9-10-13-16-21-19-15-12-11-14-17(19)18(20)4-2/h11-12,14-15,18H,3-10,13,16,20H2,1-2H3.
What are the key properties of 1-(2-decoxyphenyl)propan-1-amine?
1-(2-decoxyphenyl)propan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 5.62, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-decoxyphenyl)propan-1-amine is sourced from PubChem (CID 63501298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).