N-methyl-1-phenoxynonan-3-amine

C16H27NO — CID 55094999

IUPACN-methyl-1-phenoxynonan-3-amine
SMILESCCCCCCC(CCOc1ccccc1)NC
InChIInChI=1S/C16H27NO/c1-3-4-5-7-10-15(17-2)13-14-18-16-11-8-6-9-12-16/h6,8-9,11-12,15,17H,3-5,7,10,13-14H2,1-2H3
InChIKeyPMOPZOCWRGWYDE-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.01
Rot. Bonds10

About N-methyl-1-phenoxynonan-3-amine

N-methyl-1-phenoxynonan-3-amine (PubChem CID 55094999) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-methyl-1-phenoxynonan-3-amine.

Molecular Properties

Compound NameN-methyl-1-phenoxynonan-3-amine
PubChem CID55094999
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-methyl-1-phenoxynonan-3-amine
SMILESCCCCCCC(CCOc1ccccc1)NC
InChIInChI=1S/C16H27NO/c1-3-4-5-7-10-15(17-2)13-14-18-16-11-8-6-9-12-16/h6,8-9,11-12,15,17H,3-5,7,10,13-14H2,1-2H3
InChIKeyPMOPZOCWRGWYDE-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-methyl-1-phenoxynonan-2-amine
CID 63416660
1-phenoxy-N-propylnonan-3-amine
CID 63414499
N-methyl-1-phenoxy-5-phenylpentan-3-amine
CID 60798158
pentoxybenzene;undecane
CID 174778179
N,5-dimethyl-1-phenoxyhexan-3-amine
CID 60799426
N-ethyl-1-phenoxyhexadecan-2-amine
CID 24936576
1-phenoxydecan-2-ylhydrazine
CID 105212962
N-ethyl-1-phenoxydecan-2-amine
CID 63416219
1-phenoxy-N-propyldecan-2-amine
CID 63416663
N-(2-phenoxyethyl)octan-2-amine
CID 60689825
N-methyl-1-phenyldecan-2-amine
CID 63412341
N-methyl-5-methylidene-1-phenoxyheptan-3-amine
CID 66046491

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenoxynonan-3-amine?
The IUPAC name of N-methyl-1-phenoxynonan-3-amine (CID 55094999) is N-methyl-1-phenoxynonan-3-amine.
What is the SMILES notation for N-methyl-1-phenoxynonan-3-amine?
The canonical SMILES for N-methyl-1-phenoxynonan-3-amine is CCCCCCC(CCOc1ccccc1)NC.
What is the InChIKey of N-methyl-1-phenoxynonan-3-amine?
The InChIKey is PMOPZOCWRGWYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-3-4-5-7-10-15(17-2)13-14-18-16-11-8-6-9-12-16/h6,8-9,11-12,15,17H,3-5,7,10,13-14H2,1-2H3.
What are the key properties of N-methyl-1-phenoxynonan-3-amine?
N-methyl-1-phenoxynonan-3-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-3-amine is sourced from PubChem (CID 55094999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).