1-[4-methoxy-3-(2-phenylethoxy)phenyl]pentan-2-amine;hydrochloride

C20H28ClNO2 — CID 45261928

IUPAC1-[4-methoxy-3-(2-phenylethoxy)phenyl]pentan-2-amine;hydrochloride
SMILESCCCC(N)Cc1ccc(OC)c(OCCc2ccccc2)c1.Cl
InChIInChI=1S/C20H27NO2.ClH/c1-3-7-18(21)14-17-10-11-19(22-2)20(15-17)23-13-12-16-8-5-4-6-9-16;/h4-6,8-11,15,18H,3,7,12-14,21H2,1-2H3;1H
InChIKeyLDYRABAOFBWXAC-UHFFFAOYSA-N
MW349.90 g/mol
LogP4.41
Rot. Bonds9

About 1-[4-methoxy-3-(2-phenylethoxy)phenyl]pentan-2-amine;hydrochloride

1-[4-methoxy-3-(2-phenylethoxy)phenyl]pentan-2-amine;hydrochloride (PubChem CID 45261928) has the molecular formula C20H28ClNO2 and a molecular weight of 349.90 g/mol. Its IUPAC name is 1-[4-methoxy-3-(2-phenylethoxy)phenyl]pentan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[4-methoxy-3-(2-phenylethoxy)phenyl]pentan-2-amine;hydrochloride
PubChem CID45261928
Molecular FormulaC20H28ClNO2
Molecular Weight349.90 g/mol
Exact Mass349.18
IUPAC Name1-[4-methoxy-3-(2-phenylethoxy)phenyl]pentan-2-amine;hydrochloride
SMILESCCCC(N)Cc1ccc(OC)c(OCCc2ccccc2)c1.Cl
InChIInChI=1S/C20H27NO2.ClH/c1-3-7-18(21)14-17-10-11-19(22-2)20(15-17)23-13-12-16-8-5-4-6-9-16;/h4-6,8-11,15,18H,3,7,12-14,21H2,1-2H3;1H
InChIKeyLDYRABAOFBWXAC-UHFFFAOYSA-N
XLogP4.41
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.90
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(2-phenylethoxy)phenyl]pentan-2-amine;hydrochloride?
The IUPAC name of 1-[4-methoxy-3-(2-phenylethoxy)phenyl]pentan-2-amine;hydrochloride (CID 45261928) is 1-[4-methoxy-3-(2-phenylethoxy)phenyl]pentan-2-amine;hydrochloride.
What is the SMILES notation for 1-[4-methoxy-3-(2-phenylethoxy)phenyl]pentan-2-amine;hydrochloride?
The canonical SMILES for 1-[4-methoxy-3-(2-phenylethoxy)phenyl]pentan-2-amine;hydrochloride is CCCC(N)Cc1ccc(OC)c(OCCc2ccccc2)c1.Cl.
What is the InChIKey of 1-[4-methoxy-3-(2-phenylethoxy)phenyl]pentan-2-amine;hydrochloride?
The InChIKey is LDYRABAOFBWXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2.ClH/c1-3-7-18(21)14-17-10-11-19(22-2)20(15-17)23-13-12-16-8-5-4-6-9-16;/h4-6,8-11,15,18H,3,7,12-14,21H2,1-2H3;1H.
What are the key properties of 1-[4-methoxy-3-(2-phenylethoxy)phenyl]pentan-2-amine;hydrochloride?
1-[4-methoxy-3-(2-phenylethoxy)phenyl]pentan-2-amine;hydrochloride has a molecular weight of 349.90 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(2-phenylethoxy)phenyl]pentan-2-amine;hydrochloride is sourced from PubChem (CID 45261928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).