N-(2-phenoxyethyl)octan-2-amine

C16H27NO — CID 60689825

IUPACN-(2-phenoxyethyl)octan-2-amine
SMILESCCCCCCC(C)NCCOc1ccccc1
InChIInChI=1S/C16H27NO/c1-3-4-5-7-10-15(2)17-13-14-18-16-11-8-6-9-12-16/h6,8-9,11-12,15,17H,3-5,7,10,13-14H2,1-2H3
InChIKeyLDJGJQUWDFKVQM-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.01
Rot. Bonds10

About N-(2-phenoxyethyl)octan-2-amine

N-(2-phenoxyethyl)octan-2-amine (PubChem CID 60689825) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-(2-phenoxyethyl)octan-2-amine.

Molecular Properties

Compound NameN-(2-phenoxyethyl)octan-2-amine
PubChem CID60689825
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-(2-phenoxyethyl)octan-2-amine
SMILESCCCCCCC(C)NCCOc1ccccc1
InChIInChI=1S/C16H27NO/c1-3-4-5-7-10-15(2)17-13-14-18-16-11-8-6-9-12-16/h6,8-9,11-12,15,17H,3-5,7,10,13-14H2,1-2H3
InChIKeyLDJGJQUWDFKVQM-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-[2-(4-methylphenoxy)ethyl]heptan-2-amine
CID 60688116
N-[2-(4-bromophenoxy)ethyl]heptan-2-amine
CID 60687991
1-phenoxy-N-propylnonan-3-amine
CID 63414499
pentoxybenzene;undecane
CID 174778179
N-[2-(4-phenoxyphenoxy)ethyl]butan-2-amine
CID 63504622
4-methyl-N-(3-phenoxypropyl)pentan-2-amine
CID 62380766
1-chloro-N-(3-phenoxypropyl)propan-2-amine
CID 65026073
N-pentyl-2-(2-phenoxyethylamino)propanamide
CID 60720089
N-methyl-1-phenoxynonan-3-amine
CID 55094999
7-methyl-N-(3-phenoxypropyl)octan-1-amine
CID 103604921
1-phenoxy-N-propyldecan-2-amine
CID 63416663
(2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine
CID 2299919

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)octan-2-amine?
The IUPAC name of N-(2-phenoxyethyl)octan-2-amine (CID 60689825) is N-(2-phenoxyethyl)octan-2-amine.
What is the SMILES notation for N-(2-phenoxyethyl)octan-2-amine?
The canonical SMILES for N-(2-phenoxyethyl)octan-2-amine is CCCCCCC(C)NCCOc1ccccc1.
What is the InChIKey of N-(2-phenoxyethyl)octan-2-amine?
The InChIKey is LDJGJQUWDFKVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-3-4-5-7-10-15(2)17-13-14-18-16-11-8-6-9-12-16/h6,8-9,11-12,15,17H,3-5,7,10,13-14H2,1-2H3.
What are the key properties of N-(2-phenoxyethyl)octan-2-amine?
N-(2-phenoxyethyl)octan-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-(2-phenoxyethyl)octan-2-amine is sourced from PubChem (CID 60689825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).