1-phenoxy-N-propylnonan-3-amine

C18H31NO — CID 63414499

IUPAC1-phenoxy-N-propylnonan-3-amine
SMILESCCCCCCC(CCOc1ccccc1)NCCC
InChIInChI=1S/C18H31NO/c1-3-5-6-8-11-17(19-15-4-2)14-16-20-18-12-9-7-10-13-18/h7,9-10,12-13,17,19H,3-6,8,11,14-16H2,1-2H3
InChIKeyKMRFQNUMELGXGM-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.79
Rot. Bonds12

About 1-phenoxy-N-propylnonan-3-amine

1-phenoxy-N-propylnonan-3-amine (PubChem CID 63414499) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-phenoxy-N-propylnonan-3-amine.

Molecular Properties

Compound Name1-phenoxy-N-propylnonan-3-amine
PubChem CID63414499
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-phenoxy-N-propylnonan-3-amine
SMILESCCCCCCC(CCOc1ccccc1)NCCC
InChIInChI=1S/C18H31NO/c1-3-5-6-8-11-17(19-15-4-2)14-16-20-18-12-9-7-10-13-18/h7,9-10,12-13,17,19H,3-6,8,11,14-16H2,1-2H3
InChIKeyKMRFQNUMELGXGM-UHFFFAOYSA-N
XLogP4.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.79
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-phenoxy-N-propyldecan-2-amine
CID 63416663
N-methyl-1-phenoxynonan-3-amine
CID 55094999
6,6,6-trifluoro-1-phenoxy-N-propylhexan-3-amine
CID 64568024
N-(2-phenoxyethyl)octan-2-amine
CID 60689825
N-ethyl-1-phenoxyhexadecan-2-amine
CID 24936576
N-ethyl-1-phenoxydecan-2-amine
CID 63416219
5-methoxy-1-phenoxy-N-propylpentan-2-amine
CID 112688298
1-cyclohexyl-4-phenoxy-N-propylbutan-2-amine
CID 63414368
pentoxybenzene;undecane
CID 174778179
N-methyl-1-phenoxynonan-2-amine
CID 63416660
1-phenoxydecan-2-ylhydrazine
CID 105212962
N-hexyl-4-(2-phenoxyethoxy)aniline
CID 54799916

Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-N-propylnonan-3-amine?
The IUPAC name of 1-phenoxy-N-propylnonan-3-amine (CID 63414499) is 1-phenoxy-N-propylnonan-3-amine.
What is the SMILES notation for 1-phenoxy-N-propylnonan-3-amine?
The canonical SMILES for 1-phenoxy-N-propylnonan-3-amine is CCCCCCC(CCOc1ccccc1)NCCC.
What is the InChIKey of 1-phenoxy-N-propylnonan-3-amine?
The InChIKey is KMRFQNUMELGXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-3-5-6-8-11-17(19-15-4-2)14-16-20-18-12-9-7-10-13-18/h7,9-10,12-13,17,19H,3-6,8,11,14-16H2,1-2H3.
What are the key properties of 1-phenoxy-N-propylnonan-3-amine?
1-phenoxy-N-propylnonan-3-amine has a molecular weight of 277.45 g/mol, XLogP of 4.79, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-N-propylnonan-3-amine is sourced from PubChem (CID 63414499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).