N-[[1-(2-phenoxyethyl)cyclopropyl]methyl]propan-2-amine

C15H23NO — CID 66025781

IUPACN-[[1-(2-phenoxyethyl)cyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CCOc2ccccc2)CC1
InChIInChI=1S/C15H23NO/c1-13(2)16-12-15(8-9-15)10-11-17-14-6-4-3-5-7-14/h3-7,13,16H,8-12H2,1-2H3
InChIKeyJBJMBCNJHYACIR-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.23
Rot. Bonds7

About N-[[1-(2-phenoxyethyl)cyclopropyl]methyl]propan-2-amine

N-[[1-(2-phenoxyethyl)cyclopropyl]methyl]propan-2-amine (PubChem CID 66025781) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[[1-(2-phenoxyethyl)cyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-phenoxyethyl)cyclopropyl]methyl]propan-2-amine
PubChem CID66025781
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-[[1-(2-phenoxyethyl)cyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CCOc2ccccc2)CC1
InChIInChI=1S/C15H23NO/c1-13(2)16-12-15(8-9-15)10-11-17-14-6-4-3-5-7-14/h3-7,13,16H,8-12H2,1-2H3
InChIKeyJBJMBCNJHYACIR-UHFFFAOYSA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[2-(4-bromophenoxy)ethyl]cyclopropyl]methyl]propan-2-amine
CID 66026893
N-[[1-(2-phenoxyethyl)cyclopropyl]methyl]ethanamine
CID 66023995
2-methyl-N-[[1-(2-phenoxyethyl)cyclopentyl]methyl]propan-2-amine
CID 62725403
N-[[4-(2-phenoxyethyl)oxan-4-yl]methyl]ethanamine
CID 62904851
N-[[3-[2-(3-bromophenoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine
CID 62718677
N-[[1-[2-(2-methylpropoxy)ethyl]cyclopropyl]methyl]propan-2-amine
CID 106457015
N-methyl-1-[3-(2-phenoxyethyl)oxan-3-yl]methanamine
CID 55151607
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-2-amine
CID 66024015
N-[2-(3-phenoxypropoxy)ethyl]propan-2-amine
CID 62937312
N-methyl-1-[3-(2-phenoxyethyl)oxolan-3-yl]methanamine
CID 62717701
(1R)-1-cyclopentyl-N-(2-phenoxyethyl)ethanamine
CID 81393795
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-naphthalen-2-ylethanamine
CID 103903949

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-phenoxyethyl)cyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-phenoxyethyl)cyclopropyl]methyl]propan-2-amine (CID 66025781) is N-[[1-(2-phenoxyethyl)cyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-phenoxyethyl)cyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-phenoxyethyl)cyclopropyl]methyl]propan-2-amine is CC(C)NCC1(CCOc2ccccc2)CC1.
What is the InChIKey of N-[[1-(2-phenoxyethyl)cyclopropyl]methyl]propan-2-amine?
The InChIKey is JBJMBCNJHYACIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-13(2)16-12-15(8-9-15)10-11-17-14-6-4-3-5-7-14/h3-7,13,16H,8-12H2,1-2H3.
What are the key properties of N-[[1-(2-phenoxyethyl)cyclopropyl]methyl]propan-2-amine?
N-[[1-(2-phenoxyethyl)cyclopropyl]methyl]propan-2-amine has a molecular weight of 233.36 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-phenoxyethyl)cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 66025781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).