2-phenoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

C16H25NO — CID 79357947

IUPAC2-phenoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCC1(C)C(CNCCOc2ccccc2)C1(C)C
InChIInChI=1S/C16H25NO/c1-15(2)14(16(15,3)4)12-17-10-11-18-13-8-6-5-7-9-13/h5-9,14,17H,10-12H2,1-4H3
InChIKeyKHVDSRWQILYSGT-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.34
Rot. Bonds6

About 2-phenoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

2-phenoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (PubChem CID 79357947) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-phenoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound Name2-phenoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
PubChem CID79357947
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-phenoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCC1(C)C(CNCCOc2ccccc2)C1(C)C
InChIInChI=1S/C16H25NO/c1-15(2)14(16(15,3)4)12-17-10-11-18-13-8-6-5-7-9-13/h5-9,14,17H,10-12H2,1-4H3
InChIKeyKHVDSRWQILYSGT-UHFFFAOYSA-N
XLogP3.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.34
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

2-[2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethoxy]benzoic acid
CID 103256335
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
N-(2-phenoxyethyl)propan-1-amine
CID 6453152
N-methyl-3-phenoxypropan-1-amine
CID 22067856
2,3-dimethyl-N-(2-phenoxyethyl)butan-1-amine
CID 64571109
N-[2-(4-methylphenoxy)ethyl]-2-phenoxyethanamine;hydrochloride
CID 18793114
N-(2-phenoxyethyl)-3-propan-2-yloxypropan-1-amine
CID 60691183
N-[(2,2-diphenyl-1,3-dioxan-5-yl)methyl]-2-phenoxyethanamine
CID 155552821
N-[(3-chlorocyclobutyl)methyl]-3-phenoxypropan-1-amine
CID 66005855
N-(2-fluoroethyl)-2-phenoxyethanamine
CID 80694190
4-bromo-N-(2-phenoxyethyl)butan-1-amine
CID 106844867
N-(cyclopropylmethyl)-2-(2-phenoxyethoxy)ethanamine
CID 55088293

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The IUPAC name of 2-phenoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (CID 79357947) is 2-phenoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for 2-phenoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The canonical SMILES for 2-phenoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is CC1(C)C(CNCCOc2ccccc2)C1(C)C.
What is the InChIKey of 2-phenoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The InChIKey is KHVDSRWQILYSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-15(2)14(16(15,3)4)12-17-10-11-18-13-8-6-5-7-9-13/h5-9,14,17H,10-12H2,1-4H3.
What are the key properties of 2-phenoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
2-phenoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 79357947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).