N-[[1-(2-ethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine

C16H25NO — CID 114199421

IUPACN-[[1-(2-ethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCCc1ccccc1OC1(CNCC(C)C)CC1
InChIInChI=1S/C16H25NO/c1-4-14-7-5-6-8-15(14)18-16(9-10-16)12-17-11-13(2)3/h5-8,13,17H,4,9-12H2,1-3H3
InChIKeyAPNOCHGRUSEEIH-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.41
Rot. Bonds7

About N-[[1-(2-ethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine

N-[[1-(2-ethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine (PubChem CID 114199421) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[[1-(2-ethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-ethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
PubChem CID114199421
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[[1-(2-ethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCCc1ccccc1OC1(CNCC(C)C)CC1
InChIInChI=1S/C16H25NO/c1-4-14-7-5-6-8-15(14)18-16(9-10-16)12-17-11-13(2)3/h5-8,13,17H,4,9-12H2,1-3H3
InChIKeyAPNOCHGRUSEEIH-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2-methoxyphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66025587
N-[[1-(2,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199433
2-[1-(2-ethylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273871
2-[1-(2-ethylphenoxy)cyclobutyl]acetic acid
CID 103272592
N-[[1-(3-methoxyphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199444
N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199475
N-[[1-(3,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199461
N-[[4-[(2-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62486609
(2-ethylphenyl) methyl carbonate
CID 67179071
2-N-[(2-methoxyphenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 55072074
2-(2-ethylphenoxy)-N-propylpropan-1-amine
CID 62486791
CID 70628268
CID 70628268

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(2-ethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine (CID 114199421) is N-[[1-(2-ethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(2-ethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(2-ethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine is CCc1ccccc1OC1(CNCC(C)C)CC1.
What is the InChIKey of N-[[1-(2-ethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine?
The InChIKey is APNOCHGRUSEEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-14-7-5-6-8-15(14)18-16(9-10-16)12-17-11-13(2)3/h5-8,13,17H,4,9-12H2,1-3H3.
What are the key properties of N-[[1-(2-ethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine?
N-[[1-(2-ethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114199421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).