1-[(2-methoxy-3-phenylmethoxyphenyl)methyl]cyclopropan-1-amine

C18H21NO2 — CID 117455653

IUPAC1-[(2-methoxy-3-phenylmethoxyphenyl)methyl]cyclopropan-1-amine
SMILESCOc1c(CC2(N)CC2)cccc1OCc1ccccc1
InChIInChI=1S/C18H21NO2/c1-20-17-15(12-18(19)10-11-18)8-5-9-16(17)21-13-14-6-3-2-4-7-14/h2-9H,10-13,19H2,1H3
InChIKeyYQLILXCAHHJNAH-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.31
Rot. Bonds6

About 1-[(2-methoxy-3-phenylmethoxyphenyl)methyl]cyclopropan-1-amine

1-[(2-methoxy-3-phenylmethoxyphenyl)methyl]cyclopropan-1-amine (PubChem CID 117455653) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[(2-methoxy-3-phenylmethoxyphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(2-methoxy-3-phenylmethoxyphenyl)methyl]cyclopropan-1-amine
PubChem CID117455653
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-[(2-methoxy-3-phenylmethoxyphenyl)methyl]cyclopropan-1-amine
SMILESCOc1c(CC2(N)CC2)cccc1OCc1ccccc1
InChIInChI=1S/C18H21NO2/c1-20-17-15(12-18(19)10-11-18)8-5-9-16(17)21-13-14-6-3-2-4-7-14/h2-9H,10-13,19H2,1H3
InChIKeyYQLILXCAHHJNAH-UHFFFAOYSA-N
XLogP3.31
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]cyclopropan-1-amine
CID 117479099
O-[2-(2-methoxy-3-phenylmethoxyphenyl)ethyl]hydroxylamine
CID 117435855
1-[[3-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine
CID 117316180
1-[[3-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]cyclopropan-1-amine
CID 117341162
1-ethenyl-2-methoxy-3-phenylmethoxybenzene
CID 23251754
1-[[3-(1-fluoroethyl)-2-methoxyphenyl]methyl]cyclopropan-1-amine
CID 117320065
1,4-dimethoxy-2,3,5-trimethyl-6-[(2-phenylmethoxyphenyl)methyl]benzene
CID 139821810
2-ethoxy-1-ethyl-3-phenylmethoxybenzene
CID 173205995
1-(methoxymethoxymethyl)-2,3-bis(phenylmethoxy)benzene
CID 86164113
[4-[(2,3-dimethoxyphenoxy)methyl]phenyl]methanamine
CID 22688697
(2,6-dimethoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride
CID 69114272
1-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine
CID 117381745

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-3-phenylmethoxyphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(2-methoxy-3-phenylmethoxyphenyl)methyl]cyclopropan-1-amine (CID 117455653) is 1-[(2-methoxy-3-phenylmethoxyphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(2-methoxy-3-phenylmethoxyphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(2-methoxy-3-phenylmethoxyphenyl)methyl]cyclopropan-1-amine is COc1c(CC2(N)CC2)cccc1OCc1ccccc1.
What is the InChIKey of 1-[(2-methoxy-3-phenylmethoxyphenyl)methyl]cyclopropan-1-amine?
The InChIKey is YQLILXCAHHJNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-20-17-15(12-18(19)10-11-18)8-5-9-16(17)21-13-14-6-3-2-4-7-14/h2-9H,10-13,19H2,1H3.
What are the key properties of 1-[(2-methoxy-3-phenylmethoxyphenyl)methyl]cyclopropan-1-amine?
1-[(2-methoxy-3-phenylmethoxyphenyl)methyl]cyclopropan-1-amine has a molecular weight of 283.37 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-3-phenylmethoxyphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117455653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).