1-phenoxy-N-propyldecan-2-amine

C19H33NO — CID 63416663

IUPAC1-phenoxy-N-propyldecan-2-amine
SMILESCCCCCCCCC(COc1ccccc1)NCCC
InChIInChI=1S/C19H33NO/c1-3-5-6-7-8-10-13-18(20-16-4-2)17-21-19-14-11-9-12-15-19/h9,11-12,14-15,18,20H,3-8,10,13,16-17H2,1-2H3
InChIKeyYCAILRJSQFXDBL-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.18
Rot. Bonds13

About 1-phenoxy-N-propyldecan-2-amine

1-phenoxy-N-propyldecan-2-amine (PubChem CID 63416663) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-phenoxy-N-propyldecan-2-amine.

Molecular Properties

Compound Name1-phenoxy-N-propyldecan-2-amine
PubChem CID63416663
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1-phenoxy-N-propyldecan-2-amine
SMILESCCCCCCCCC(COc1ccccc1)NCCC
InChIInChI=1S/C19H33NO/c1-3-5-6-7-8-10-13-18(20-16-4-2)17-21-19-14-11-9-12-15-19/h9,11-12,14-15,18,20H,3-8,10,13,16-17H2,1-2H3
InChIKeyYCAILRJSQFXDBL-UHFFFAOYSA-N
XLogP5.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.18
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

N-ethyl-1-phenoxydecan-2-amine
CID 63416219
N-ethyl-1-phenoxyhexadecan-2-amine
CID 24936576
1-phenoxy-N-propylnonan-3-amine
CID 63414499
5-methoxy-1-phenoxy-N-propylpentan-2-amine
CID 112688298
N-methyl-1-phenoxynonan-2-amine
CID 63416660
1-phenoxydecan-2-ylhydrazine
CID 105212962
1-phenoxy-N-propylpent-4-yn-2-amine
CID 62717059
4-methyl-1-phenoxy-N-propylpent-4-en-2-amine
CID 79180343
2,6-dimethyldodecoxybenzene
CID 163303723
1-phenoxytetradecan-2-ol
CID 11609222
2,6-dimethyltetradecoxybenzene
CID 163303720
N-methyl-1-phenoxynonan-3-amine
CID 55094999

Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-N-propyldecan-2-amine?
The IUPAC name of 1-phenoxy-N-propyldecan-2-amine (CID 63416663) is 1-phenoxy-N-propyldecan-2-amine.
What is the SMILES notation for 1-phenoxy-N-propyldecan-2-amine?
The canonical SMILES for 1-phenoxy-N-propyldecan-2-amine is CCCCCCCCC(COc1ccccc1)NCCC.
What is the InChIKey of 1-phenoxy-N-propyldecan-2-amine?
The InChIKey is YCAILRJSQFXDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-3-5-6-7-8-10-13-18(20-16-4-2)17-21-19-14-11-9-12-15-19/h9,11-12,14-15,18,20H,3-8,10,13,16-17H2,1-2H3.
What are the key properties of 1-phenoxy-N-propyldecan-2-amine?
1-phenoxy-N-propyldecan-2-amine has a molecular weight of 291.48 g/mol, XLogP of 5.18, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-N-propyldecan-2-amine is sourced from PubChem (CID 63416663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).