1-(4-cyclopropyloxyphenyl)-2-methoxy-2-phenylethanamine

C18H21NO2 — CID 114519844

IUPAC1-(4-cyclopropyloxyphenyl)-2-methoxy-2-phenylethanamine
SMILESCOC(c1ccccc1)C(N)c1ccc(OC2CC2)cc1
InChIInChI=1S/C18H21NO2/c1-20-18(14-5-3-2-4-6-14)17(19)13-7-9-15(10-8-13)21-16-11-12-16/h2-10,16-18H,11-12,19H2,1H3
InChIKeyVYDWAGORLQXPOO-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.62
Rot. Bonds6

About 1-(4-cyclopropyloxyphenyl)-2-methoxy-2-phenylethanamine

1-(4-cyclopropyloxyphenyl)-2-methoxy-2-phenylethanamine (PubChem CID 114519844) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(4-cyclopropyloxyphenyl)-2-methoxy-2-phenylethanamine.

Molecular Properties

Compound Name1-(4-cyclopropyloxyphenyl)-2-methoxy-2-phenylethanamine
PubChem CID114519844
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-(4-cyclopropyloxyphenyl)-2-methoxy-2-phenylethanamine
SMILESCOC(c1ccccc1)C(N)c1ccc(OC2CC2)cc1
InChIInChI=1S/C18H21NO2/c1-20-18(14-5-3-2-4-6-14)17(19)13-7-9-15(10-8-13)21-16-11-12-16/h2-10,16-18H,11-12,19H2,1H3
InChIKeyVYDWAGORLQXPOO-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-amine
CID 105051483
1-(4-cyclopropyloxyphenyl)-2-methylpropan-1-amine
CID 114519212
1-(4-cyclopropyloxyphenyl)-2-phenylsulfanylethanamine
CID 114519481
(1S)-1-[4-(4-methylcyclohexyl)oxyphenyl]propan-1-amine
CID 78999289
1-(3-cyclopropyloxyphenyl)-2-phenylbutan-1-amine
CID 105051796
(1S)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64734743
(4-cyclopropyloxyphenyl)-(4-fluorophenyl)methanamine
CID 114519186
1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155890234
1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64737275
(4-cyclopropyloxyphenyl)-(1-methoxycyclobutyl)methanamine
CID 114519781
1-(4-cyclopropyloxyphenyl)-4-methoxybutan-1-amine
CID 114519451
(4-cyclopropyloxyphenyl)-(1-ethylcyclopentyl)methanamine
CID 105051512

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxyphenyl)-2-methoxy-2-phenylethanamine?
The IUPAC name of 1-(4-cyclopropyloxyphenyl)-2-methoxy-2-phenylethanamine (CID 114519844) is 1-(4-cyclopropyloxyphenyl)-2-methoxy-2-phenylethanamine.
What is the SMILES notation for 1-(4-cyclopropyloxyphenyl)-2-methoxy-2-phenylethanamine?
The canonical SMILES for 1-(4-cyclopropyloxyphenyl)-2-methoxy-2-phenylethanamine is COC(c1ccccc1)C(N)c1ccc(OC2CC2)cc1.
What is the InChIKey of 1-(4-cyclopropyloxyphenyl)-2-methoxy-2-phenylethanamine?
The InChIKey is VYDWAGORLQXPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-20-18(14-5-3-2-4-6-14)17(19)13-7-9-15(10-8-13)21-16-11-12-16/h2-10,16-18H,11-12,19H2,1H3.
What are the key properties of 1-(4-cyclopropyloxyphenyl)-2-methoxy-2-phenylethanamine?
1-(4-cyclopropyloxyphenyl)-2-methoxy-2-phenylethanamine has a molecular weight of 283.37 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyloxyphenyl)-2-methoxy-2-phenylethanamine is sourced from PubChem (CID 114519844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).