2,3-dimethyl-N-(2-phenoxyethyl)butan-1-amine

C14H23NO — CID 64571109

IUPAC2,3-dimethyl-N-(2-phenoxyethyl)butan-1-amine
SMILESCC(C)C(C)CNCCOc1ccccc1
InChIInChI=1S/C14H23NO/c1-12(2)13(3)11-15-9-10-16-14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3
InChIKeyJGIWOKHDCPAIND-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.95
Rot. Bonds7

About 2,3-dimethyl-N-(2-phenoxyethyl)butan-1-amine

2,3-dimethyl-N-(2-phenoxyethyl)butan-1-amine (PubChem CID 64571109) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2,3-dimethyl-N-(2-phenoxyethyl)butan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-(2-phenoxyethyl)butan-1-amine
PubChem CID64571109
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2,3-dimethyl-N-(2-phenoxyethyl)butan-1-amine
SMILESCC(C)C(C)CNCCOc1ccccc1
InChIInChI=1S/C14H23NO/c1-12(2)13(3)11-15-9-10-16-14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3
InChIKeyJGIWOKHDCPAIND-UHFFFAOYSA-N
XLogP2.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.95
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

3-methyl-N-(2-phenoxyethyl)-2-phenylbutan-1-amine
CID 107876087
1-(2-phenoxyethylamino)propane-2-thiol;hydrochloride
CID 24843389
N'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine
CID 113405493
N-(2-phenoxyethyl)-3-propan-2-yloxypropan-1-amine
CID 60691183
3-chloro-N-(2-phenoxyethyl)butan-1-amine
CID 65024522
2-methyl-N-[3-(2-phenoxyethoxy)propyl]propan-1-amine
CID 62456357
N-(2-phenoxyethyl)propan-1-amine
CID 6453152
2,4-dimethyl-N-(3-phenoxypropyl)pentan-3-amine
CID 112743218
N-(2,2-difluoroethyl)-3-phenoxypropan-1-amine
CID 62380605
N-[2-(4-methylphenoxy)ethyl]-2-phenoxyethanamine;hydrochloride
CID 18793114
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
1-iodo-3-methyl-N-(2-phenoxyethyl)butan-2-amine
CID 107859490

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(2-phenoxyethyl)butan-1-amine?
The IUPAC name of 2,3-dimethyl-N-(2-phenoxyethyl)butan-1-amine (CID 64571109) is 2,3-dimethyl-N-(2-phenoxyethyl)butan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-(2-phenoxyethyl)butan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-(2-phenoxyethyl)butan-1-amine is CC(C)C(C)CNCCOc1ccccc1.
What is the InChIKey of 2,3-dimethyl-N-(2-phenoxyethyl)butan-1-amine?
The InChIKey is JGIWOKHDCPAIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-12(2)13(3)11-15-9-10-16-14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3.
What are the key properties of 2,3-dimethyl-N-(2-phenoxyethyl)butan-1-amine?
2,3-dimethyl-N-(2-phenoxyethyl)butan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(2-phenoxyethyl)butan-1-amine is sourced from PubChem (CID 64571109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).