N-[(4-methoxy-2-pentan-2-yloxyphenyl)methyl]cyclopropanamine

C16H25NO2 — CID 107890884

IUPACN-[(4-methoxy-2-pentan-2-yloxyphenyl)methyl]cyclopropanamine
SMILESCCCC(C)Oc1cc(OC)ccc1CNC1CC1
InChIInChI=1S/C16H25NO2/c1-4-5-12(2)19-16-10-15(18-3)9-6-13(16)11-17-14-7-8-14/h6,9-10,12,14,17H,4-5,7-8,11H2,1-3H3
InChIKeyABFCYYDDOVNPPQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.51
Rot. Bonds8

About N-[(4-methoxy-2-pentan-2-yloxyphenyl)methyl]cyclopropanamine

N-[(4-methoxy-2-pentan-2-yloxyphenyl)methyl]cyclopropanamine (PubChem CID 107890884) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(4-methoxy-2-pentan-2-yloxyphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-methoxy-2-pentan-2-yloxyphenyl)methyl]cyclopropanamine
PubChem CID107890884
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[(4-methoxy-2-pentan-2-yloxyphenyl)methyl]cyclopropanamine
SMILESCCCC(C)Oc1cc(OC)ccc1CNC1CC1
InChIInChI=1S/C16H25NO2/c1-4-5-12(2)19-16-10-15(18-3)9-6-13(16)11-17-14-7-8-14/h6,9-10,12,14,17H,4-5,7-8,11H2,1-3H3
InChIKeyABFCYYDDOVNPPQ-UHFFFAOYSA-N
XLogP3.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-ethylbutoxy)-4-methoxyphenyl]methyl]cyclopropanamine
CID 82927332
N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]cyclopropanamine
CID 107890758
N-[[4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]cyclopropanamine
CID 61484961
N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride
CID 21435442
N-[(4-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopropanamine
CID 61267827
N-[(2,4-dimethoxyphenyl)methyl]-3-ethylcyclopentan-1-amine
CID 64500923
N-[(2-but-3-en-2-yloxy-4-propoxyphenyl)methyl]cyclopropanamine
CID 62387770
2-[2-[(cyclopropylamino)methyl]-5-methoxyphenoxy]-N-propan-2-ylacetamide
CID 61268733
N-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]cyclopropanamine
CID 43276456
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
1-butyl-N-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine
CID 119127125
N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
CID 83310423

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2-pentan-2-yloxyphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-methoxy-2-pentan-2-yloxyphenyl)methyl]cyclopropanamine (CID 107890884) is N-[(4-methoxy-2-pentan-2-yloxyphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-methoxy-2-pentan-2-yloxyphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-methoxy-2-pentan-2-yloxyphenyl)methyl]cyclopropanamine is CCCC(C)Oc1cc(OC)ccc1CNC1CC1.
What is the InChIKey of N-[(4-methoxy-2-pentan-2-yloxyphenyl)methyl]cyclopropanamine?
The InChIKey is ABFCYYDDOVNPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-5-12(2)19-16-10-15(18-3)9-6-13(16)11-17-14-7-8-14/h6,9-10,12,14,17H,4-5,7-8,11H2,1-3H3.
What are the key properties of N-[(4-methoxy-2-pentan-2-yloxyphenyl)methyl]cyclopropanamine?
N-[(4-methoxy-2-pentan-2-yloxyphenyl)methyl]cyclopropanamine has a molecular weight of 263.38 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2-pentan-2-yloxyphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 107890884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).