1-[(4-ethyl-2,5-dimethoxyphenyl)methyl]cyclopropan-1-amine

C14H21NO2 — CID 117343094

IUPAC1-[(4-ethyl-2,5-dimethoxyphenyl)methyl]cyclopropan-1-amine
SMILESCCc1cc(OC)c(CC2(N)CC2)cc1OC
InChIInChI=1S/C14H21NO2/c1-4-10-7-13(17-3)11(8-12(10)16-2)9-14(15)5-6-14/h7-8H,4-6,9,15H2,1-3H3
InChIKeyVEILHGCZMSZLNO-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.30
Rot. Bonds5

About 1-[(4-ethyl-2,5-dimethoxyphenyl)methyl]cyclopropan-1-amine

1-[(4-ethyl-2,5-dimethoxyphenyl)methyl]cyclopropan-1-amine (PubChem CID 117343094) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[(4-ethyl-2,5-dimethoxyphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(4-ethyl-2,5-dimethoxyphenyl)methyl]cyclopropan-1-amine
PubChem CID117343094
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[(4-ethyl-2,5-dimethoxyphenyl)methyl]cyclopropan-1-amine
SMILESCCc1cc(OC)c(CC2(N)CC2)cc1OC
InChIInChI=1S/C14H21NO2/c1-4-10-7-13(17-3)11(8-12(10)16-2)9-14(15)5-6-14/h7-8H,4-6,9,15H2,1-3H3
InChIKeyVEILHGCZMSZLNO-UHFFFAOYSA-N
XLogP2.30
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-aminocyclopropyl)methyl]-2,5-dimethoxybenzenethiol
CID 168930817
1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropan-1-amine
CID 105423331
2-[2-(1-aminocyclopropyl)ethyl]-4-ethyl-5-methoxyphenol
CID 105496630
1-[[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine
CID 117483540
1-(3-ethyl-4-methoxyphenyl)cyclopropan-1-amine
CID 82281442
4-[(3-ethyl-4-methoxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 82122007
1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)cyclopropan-1-amine
CID 84798779
1-[(5-chloro-2,3-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117356301
1-[(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine
CID 117499584
2,5-diethyl-4-methoxyphenol
CID 162375149
1-chloro-4-ethyl-2,5-dimethoxybenzene
CID 71132798
1-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine
CID 55042036

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethyl-2,5-dimethoxyphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(4-ethyl-2,5-dimethoxyphenyl)methyl]cyclopropan-1-amine (CID 117343094) is 1-[(4-ethyl-2,5-dimethoxyphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(4-ethyl-2,5-dimethoxyphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(4-ethyl-2,5-dimethoxyphenyl)methyl]cyclopropan-1-amine is CCc1cc(OC)c(CC2(N)CC2)cc1OC.
What is the InChIKey of 1-[(4-ethyl-2,5-dimethoxyphenyl)methyl]cyclopropan-1-amine?
The InChIKey is VEILHGCZMSZLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-10-7-13(17-3)11(8-12(10)16-2)9-14(15)5-6-14/h7-8H,4-6,9,15H2,1-3H3.
What are the key properties of 1-[(4-ethyl-2,5-dimethoxyphenyl)methyl]cyclopropan-1-amine?
1-[(4-ethyl-2,5-dimethoxyphenyl)methyl]cyclopropan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethyl-2,5-dimethoxyphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117343094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).