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

C19H25NO2 — CID 100949044

IUPAC(2R)-1-[4-methoxy-3-(2-phenylethoxy)phenyl]butan-2-amine
SMILESCC[C@@H](N)Cc1ccc(OC)c(OCCc2ccccc2)c1
InChIInChI=1S/C19H25NO2/c1-3-17(20)13-16-9-10-18(21-2)19(14-16)22-12-11-15-7-5-4-6-8-15/h4-10,14,17H,3,11-13,20H2,1-2H3/t17-/m1/s1
InChIKeyBMOZHWDJWXUFOF-QGZVFWFLSA-N
MW299.41 g/mol
LogP3.60
Rot. Bonds8

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

(2R)-1-[4-methoxy-3-(2-phenylethoxy)phenyl]butan-2-amine (PubChem CID 100949044) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is (2R)-1-[4-methoxy-3-(2-phenylethoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-1-[4-methoxy-3-(2-phenylethoxy)phenyl]butan-2-amine
PubChem CID100949044
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name(2R)-1-[4-methoxy-3-(2-phenylethoxy)phenyl]butan-2-amine
SMILESCC[C@@H](N)Cc1ccc(OC)c(OCCc2ccccc2)c1
InChIInChI=1S/C19H25NO2/c1-3-17(20)13-16-9-10-18(21-2)19(14-16)22-12-11-15-7-5-4-6-8-15/h4-10,14,17H,3,11-13,20H2,1-2H3/t17-/m1/s1
InChIKeyBMOZHWDJWXUFOF-QGZVFWFLSA-N
XLogP3.60
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-methoxy-3-(2-phenylethoxy)phenyl]-3-propan-2-ylsulfonylpropan-2-amine;hydrochloride
CID 139726345
1-[4-methoxy-3-(2-propoxyethoxy)phenyl]butan-2-amine
CID 106455598
3-[5-(2-aminobutyl)-2-methoxyphenoxy]propanamide
CID 60907156
1-(4-butoxy-3-methoxyphenyl)butan-2-amine
CID 54929034
1-[4-methoxy-3-(2-phenylethoxy)phenyl]propan-2-yl-propylazanium chloride
CID 10522764
1-methoxy-4-(5-methyl-2-propylhexyl)-2-(2-phenylethoxy)benzene
CID 19606416
1-[4-(3-fluoropropoxy)-3-methoxyphenyl]butan-2-amine
CID 81114497
1-[3-methoxy-4-(2-propoxyethoxy)phenyl]butan-2-amine
CID 106455589
1-[3-(2-bromoprop-2-enoxy)-4-methoxyphenyl]butan-2-amine
CID 54929465
[4-methoxy-3-(3-phenylpropoxy)phenyl]methanamine
CID 22685843
1-[4-(2-methoxyphenoxy)-3-methylphenyl]butan-2-amine
CID 63803633
1-[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]butan-2-amine
CID 60906591

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-methoxy-3-(2-phenylethoxy)phenyl]butan-2-amine?
The IUPAC name of (2R)-1-[4-methoxy-3-(2-phenylethoxy)phenyl]butan-2-amine (CID 100949044) is (2R)-1-[4-methoxy-3-(2-phenylethoxy)phenyl]butan-2-amine.
What is the SMILES notation for (2R)-1-[4-methoxy-3-(2-phenylethoxy)phenyl]butan-2-amine?
The canonical SMILES for (2R)-1-[4-methoxy-3-(2-phenylethoxy)phenyl]butan-2-amine is CC[C@@H](N)Cc1ccc(OC)c(OCCc2ccccc2)c1.
What is the InChIKey of (2R)-1-[4-methoxy-3-(2-phenylethoxy)phenyl]butan-2-amine?
The InChIKey is BMOZHWDJWXUFOF-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25NO2/c1-3-17(20)13-16-9-10-18(21-2)19(14-16)22-12-11-15-7-5-4-6-8-15/h4-10,14,17H,3,11-13,20H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-1-[4-methoxy-3-(2-phenylethoxy)phenyl]butan-2-amine?
(2R)-1-[4-methoxy-3-(2-phenylethoxy)phenyl]butan-2-amine has a molecular weight of 299.41 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-methoxy-3-(2-phenylethoxy)phenyl]butan-2-amine is sourced from PubChem (CID 100949044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).