1-[4-methoxy-3-(2-phenylethoxy)phenyl]hexan-2-amine

C21H29NO2 — CID 10616210

IUPAC1-[4-methoxy-3-(2-phenylethoxy)phenyl]hexan-2-amine
SMILESCCCCC(N)Cc1ccc(OC)c(OCCc2ccccc2)c1
InChIInChI=1S/C21H29NO2/c1-3-4-10-19(22)15-18-11-12-20(23-2)21(16-18)24-14-13-17-8-6-5-7-9-17/h5-9,11-12,16,19H,3-4,10,13-15,22H2,1-2H3
InChIKeyRPGHZIYTMMZENP-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.38
Rot. Bonds10

About 1-[4-methoxy-3-(2-phenylethoxy)phenyl]hexan-2-amine

1-[4-methoxy-3-(2-phenylethoxy)phenyl]hexan-2-amine (PubChem CID 10616210) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 1-[4-methoxy-3-(2-phenylethoxy)phenyl]hexan-2-amine.

Molecular Properties

Compound Name1-[4-methoxy-3-(2-phenylethoxy)phenyl]hexan-2-amine
PubChem CID10616210
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name1-[4-methoxy-3-(2-phenylethoxy)phenyl]hexan-2-amine
SMILESCCCCC(N)Cc1ccc(OC)c(OCCc2ccccc2)c1
InChIInChI=1S/C21H29NO2/c1-3-4-10-19(22)15-18-11-12-20(23-2)21(16-18)24-14-13-17-8-6-5-7-9-17/h5-9,11-12,16,19H,3-4,10,13-15,22H2,1-2H3
InChIKeyRPGHZIYTMMZENP-UHFFFAOYSA-N
XLogP4.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.38
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]hexan-2-amine?
The IUPAC name of 1-[4-methoxy-3-(2-phenylethoxy)phenyl]hexan-2-amine (CID 10616210) is 1-[4-methoxy-3-(2-phenylethoxy)phenyl]hexan-2-amine.
What is the SMILES notation for 1-[4-methoxy-3-(2-phenylethoxy)phenyl]hexan-2-amine?
The canonical SMILES for 1-[4-methoxy-3-(2-phenylethoxy)phenyl]hexan-2-amine is CCCCC(N)Cc1ccc(OC)c(OCCc2ccccc2)c1.
What is the InChIKey of 1-[4-methoxy-3-(2-phenylethoxy)phenyl]hexan-2-amine?
The InChIKey is RPGHZIYTMMZENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2/c1-3-4-10-19(22)15-18-11-12-20(23-2)21(16-18)24-14-13-17-8-6-5-7-9-17/h5-9,11-12,16,19H,3-4,10,13-15,22H2,1-2H3.
What are the key properties of 1-[4-methoxy-3-(2-phenylethoxy)phenyl]hexan-2-amine?
1-[4-methoxy-3-(2-phenylethoxy)phenyl]hexan-2-amine has a molecular weight of 327.47 g/mol, XLogP of 4.38, 10 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]hexan-2-amine is sourced from PubChem (CID 10616210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).