N-methyl-1-phenoxynonan-2-amine

C16H27NO — CID 63416660

IUPACN-methyl-1-phenoxynonan-2-amine
SMILESCCCCCCCC(COc1ccccc1)NC
InChIInChI=1S/C16H27NO/c1-3-4-5-6-8-11-15(17-2)14-18-16-12-9-7-10-13-16/h7,9-10,12-13,15,17H,3-6,8,11,14H2,1-2H3
InChIKeyLECKKOAWIRKLIX-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.01
Rot. Bonds10

About N-methyl-1-phenoxynonan-2-amine

N-methyl-1-phenoxynonan-2-amine (PubChem CID 63416660) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-methyl-1-phenoxynonan-2-amine.

Molecular Properties

Compound NameN-methyl-1-phenoxynonan-2-amine
PubChem CID63416660
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-methyl-1-phenoxynonan-2-amine
SMILESCCCCCCCC(COc1ccccc1)NC
InChIInChI=1S/C16H27NO/c1-3-4-5-6-8-11-15(17-2)14-18-16-12-9-7-10-13-16/h7,9-10,12-13,15,17H,3-6,8,11,14H2,1-2H3
InChIKeyLECKKOAWIRKLIX-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.01
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
1-phenoxydecan-2-ylhydrazine
CID 105212962
N-ethyl-1-phenoxyhexadecan-2-amine
CID 24936576
N-methyl-1-phenoxynonan-3-amine
CID 55094999
1-phenoxy-N-propyldecan-2-amine
CID 63416663
N-methyl-1-(4-phenoxyphenoxy)pentan-2-amine
CID 63474716
1-(4-chlorophenoxy)-N-methylhexan-2-amine
CID 105125626
N-methyl-1-phenyldecan-2-amine
CID 63412341
2,6-dimethyldodecoxybenzene
CID 163303723
1-phenoxytetradecan-2-ol
CID 11609222
2,6-dimethyltetradecoxybenzene
CID 163303720
1-ethoxy-N-methyl-3-phenoxypropan-2-amine
CID 79574032

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenoxynonan-2-amine?
The IUPAC name of N-methyl-1-phenoxynonan-2-amine (CID 63416660) is N-methyl-1-phenoxynonan-2-amine.
What is the SMILES notation for N-methyl-1-phenoxynonan-2-amine?
The canonical SMILES for N-methyl-1-phenoxynonan-2-amine is CCCCCCCC(COc1ccccc1)NC.
What is the InChIKey of N-methyl-1-phenoxynonan-2-amine?
The InChIKey is LECKKOAWIRKLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-3-4-5-6-8-11-15(17-2)14-18-16-12-9-7-10-13-16/h7,9-10,12-13,15,17H,3-6,8,11,14H2,1-2H3.
What are the key properties of N-methyl-1-phenoxynonan-2-amine?
N-methyl-1-phenoxynonan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 4.01, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenoxynonan-2-amine is sourced from PubChem (CID 63416660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).