N-ethyl-2-methyl-N-phenoxytridecan-2-amine

C22H39NO — CID 88748114

IUPACN-ethyl-2-methyl-N-phenoxytridecan-2-amine
SMILESCCCCCCCCCCCC(C)(C)N(CC)Oc1ccccc1
InChIInChI=1S/C22H39NO/c1-5-7-8-9-10-11-12-13-17-20-22(3,4)23(6-2)24-21-18-15-14-16-19-21/h14-16,18-19H,5-13,17,20H2,1-4H3
InChIKeyMWZZCVIQZHFWCQ-UHFFFAOYSA-N
MW333.56 g/mol
LogP7.00
Rot. Bonds14

About N-ethyl-2-methyl-N-phenoxytridecan-2-amine

N-ethyl-2-methyl-N-phenoxytridecan-2-amine (PubChem CID 88748114) has the molecular formula C22H39NO and a molecular weight of 333.56 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-phenoxytridecan-2-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-phenoxytridecan-2-amine
PubChem CID88748114
Molecular FormulaC22H39NO
Molecular Weight333.56 g/mol
Exact Mass333.30
IUPAC NameN-ethyl-2-methyl-N-phenoxytridecan-2-amine
SMILESCCCCCCCCCCCC(C)(C)N(CC)Oc1ccccc1
InChIInChI=1S/C22H39NO/c1-5-7-8-9-10-11-12-13-17-20-22(3,4)23(6-2)24-21-18-15-14-16-19-21/h14-16,18-19H,5-13,17,20H2,1-4H3
InChIKeyMWZZCVIQZHFWCQ-UHFFFAOYSA-N
XLogP7.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.56
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethoxy-N-ethyl-2-methylheptadecan-2-amine
CID 174442183
1,1-diphenoxydecoxybenzene
CID 150135541
[ethyl(2-methylheptan-2-yl)amino] hypoiodite
CID 156748473
2-methyl-N-(2-methyldodecan-2-yl)-N-(2-phenylethyl)dodecan-2-amine
CID 139722899
2-methyl-N-(2-methylpentadecan-2-yl)-N-(2-phenylethyl)pentadecan-2-amine
CID 139723830
7-(7-phenyltridecan-7-ylperoxy)tridecan-7-ylbenzene
CID 154126549
2-methyl-N,N-bis[(E)-2-phenylethenyl]tetradecan-2-amine
CID 139722692
2-methyl-N-(2-methyltetradecan-2-yl)-N-[(E)-2-phenylethenyl]tetradecan-2-amine
CID 139722796
(2-methyl-3-propan-2-yldodecan-3-yl)oxybenzene
CID 150202731
pentoxybenzene;undecane
CID 174778179
bis(decane);phenoxyphosphane
CID 91140487
2-methylheptan-2-yl-bis(2-methylheptan-2-yloxy)-phenoxyphosphanium
CID 21499229

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-phenoxytridecan-2-amine?
The IUPAC name of N-ethyl-2-methyl-N-phenoxytridecan-2-amine (CID 88748114) is N-ethyl-2-methyl-N-phenoxytridecan-2-amine.
What is the SMILES notation for N-ethyl-2-methyl-N-phenoxytridecan-2-amine?
The canonical SMILES for N-ethyl-2-methyl-N-phenoxytridecan-2-amine is CCCCCCCCCCCC(C)(C)N(CC)Oc1ccccc1.
What is the InChIKey of N-ethyl-2-methyl-N-phenoxytridecan-2-amine?
The InChIKey is MWZZCVIQZHFWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO/c1-5-7-8-9-10-11-12-13-17-20-22(3,4)23(6-2)24-21-18-15-14-16-19-21/h14-16,18-19H,5-13,17,20H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-N-phenoxytridecan-2-amine?
N-ethyl-2-methyl-N-phenoxytridecan-2-amine has a molecular weight of 333.56 g/mol, XLogP of 7.00, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-phenoxytridecan-2-amine is sourced from PubChem (CID 88748114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).