2-(3-ethoxy-2-phenylmethoxyphenyl)cyclopropan-1-amine

C18H21NO2 — CID 154972525

IUPAC2-(3-ethoxy-2-phenylmethoxyphenyl)cyclopropan-1-amine
SMILESCCOc1cccc(C2CC2N)c1OCc1ccccc1
InChIInChI=1S/C18H21NO2/c1-2-20-17-10-6-9-14(15-11-16(15)19)18(17)21-12-13-7-4-3-5-8-13/h3-10,15-16H,2,11-12,19H2,1H3
InChIKeyNNXFECCNYSKIJE-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.48
Rot. Bonds6

About 2-(3-ethoxy-2-phenylmethoxyphenyl)cyclopropan-1-amine

2-(3-ethoxy-2-phenylmethoxyphenyl)cyclopropan-1-amine (PubChem CID 154972525) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(3-ethoxy-2-phenylmethoxyphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name2-(3-ethoxy-2-phenylmethoxyphenyl)cyclopropan-1-amine
PubChem CID154972525
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(3-ethoxy-2-phenylmethoxyphenyl)cyclopropan-1-amine
SMILESCCOc1cccc(C2CC2N)c1OCc1ccccc1
InChIInChI=1S/C18H21NO2/c1-2-20-17-10-6-9-14(15-11-16(15)19)18(17)21-12-13-7-4-3-5-8-13/h3-10,15-16H,2,11-12,19H2,1H3
InChIKeyNNXFECCNYSKIJE-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2S)-2-(2-ethoxyphenyl)cyclopropan-1-amine
CID 39236728
cis-(1R,2R)-2-(2-ethoxyphenyl)cyclopropan-1-amine
CID 39236736
1-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]cyclopropan-1-amine
CID 117479099
3-amino-1-(3-ethoxy-2-phenylmethoxyphenyl)propan-1-one
CID 117482319
4-(3-ethoxy-2-phenylmethoxyphenyl)butan-1-amine
CID 117482452
[(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine
CID 70683433
2-ethoxy-1-ethyl-3-phenylmethoxybenzene
CID 173205995
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17290759
7-ethoxy-6-methoxy-1-(3-methoxy-2-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3933413
1-[2,3-bis(phenylmethoxy)phenyl]ethane-1,2-diamine
CID 22756712
1-ethoxy-3-[(E)-2-nitroethenyl]-2-phenylmethoxybenzene
CID 71624359
methyl 6-amino-5-cyano-4-(3-ethoxy-2-phenylmethoxyphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 4308090

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-2-phenylmethoxyphenyl)cyclopropan-1-amine?
The IUPAC name of 2-(3-ethoxy-2-phenylmethoxyphenyl)cyclopropan-1-amine (CID 154972525) is 2-(3-ethoxy-2-phenylmethoxyphenyl)cyclopropan-1-amine.
What is the SMILES notation for 2-(3-ethoxy-2-phenylmethoxyphenyl)cyclopropan-1-amine?
The canonical SMILES for 2-(3-ethoxy-2-phenylmethoxyphenyl)cyclopropan-1-amine is CCOc1cccc(C2CC2N)c1OCc1ccccc1.
What is the InChIKey of 2-(3-ethoxy-2-phenylmethoxyphenyl)cyclopropan-1-amine?
The InChIKey is NNXFECCNYSKIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-20-17-10-6-9-14(15-11-16(15)19)18(17)21-12-13-7-4-3-5-8-13/h3-10,15-16H,2,11-12,19H2,1H3.
What are the key properties of 2-(3-ethoxy-2-phenylmethoxyphenyl)cyclopropan-1-amine?
2-(3-ethoxy-2-phenylmethoxyphenyl)cyclopropan-1-amine has a molecular weight of 283.37 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-2-phenylmethoxyphenyl)cyclopropan-1-amine is sourced from PubChem (CID 154972525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).