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

C19H23NO2 — CID 117479099

IUPAC1-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]cyclopropan-1-amine
SMILESCCOc1cccc(CC2(N)CC2)c1OCc1ccccc1
InChIInChI=1S/C19H23NO2/c1-2-21-17-10-6-9-16(13-19(20)11-12-19)18(17)22-14-15-7-4-3-5-8-15/h3-10H,2,11-14,20H2,1H3
InChIKeyFSORTOIUCPZVFU-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.70
Rot. Bonds7

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

1-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]cyclopropan-1-amine (PubChem CID 117479099) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]cyclopropan-1-amine
PubChem CID117479099
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name1-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]cyclopropan-1-amine
SMILESCCOc1cccc(CC2(N)CC2)c1OCc1ccccc1
InChIInChI=1S/C19H23NO2/c1-2-21-17-10-6-9-16(13-19(20)11-12-19)18(17)22-14-15-7-4-3-5-8-15/h3-10H,2,11-14,20H2,1H3
InChIKeyFSORTOIUCPZVFU-UHFFFAOYSA-N
XLogP3.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxy-3-phenylmethoxyphenyl)methyl]cyclopropan-1-amine
CID 117455653
4-(3-ethoxy-2-phenylmethoxyphenyl)butan-1-amine
CID 117482452
2-ethoxy-1-ethyl-3-phenylmethoxybenzene
CID 173205995
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17290759
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]butan-2-amine
CID 4717056
2-(3-ethoxy-2-phenylmethoxyphenyl)cyclopropan-1-amine
CID 154972525
2-(3-ethoxy-2-phenylmethoxyphenyl)-1-(furan-2-yl)ethanamine
CID 21157760
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17332966
N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-phenylmethanamine
CID 17212716
2-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
CID 4724426
(3-ethoxy-2-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 8637363
1-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 4724419

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]cyclopropan-1-amine (CID 117479099) is 1-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]cyclopropan-1-amine is CCOc1cccc(CC2(N)CC2)c1OCc1ccccc1.
What is the InChIKey of 1-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]cyclopropan-1-amine?
The InChIKey is FSORTOIUCPZVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-2-21-17-10-6-9-16(13-19(20)11-12-19)18(17)22-14-15-7-4-3-5-8-15/h3-10H,2,11-14,20H2,1H3.
What are the key properties of 1-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]cyclopropan-1-amine?
1-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]cyclopropan-1-amine has a molecular weight of 297.40 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117479099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).