(2R)-1-(4-benzyl-2,5-dimethoxyphenyl)propan-2-amine

C18H23NO2 — CID 69398998

IUPAC(2R)-1-(4-benzyl-2,5-dimethoxyphenyl)propan-2-amine
SMILESCOc1cc(C[C@@H](C)N)c(OC)cc1Cc1ccccc1
InChIInChI=1S/C18H23NO2/c1-13(19)9-15-11-18(21-3)16(12-17(15)20-2)10-14-7-5-4-6-8-14/h4-8,11-13H,9-10,19H2,1-3H3/t13-/m1/s1
InChIKeyFQARCNZVKSYIGI-CYBMUJFWSA-N
MW285.39 g/mol
LogP3.18
Rot. Bonds6

About (2R)-1-(4-benzyl-2,5-dimethoxyphenyl)propan-2-amine

(2R)-1-(4-benzyl-2,5-dimethoxyphenyl)propan-2-amine (PubChem CID 69398998) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (2R)-1-(4-benzyl-2,5-dimethoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(4-benzyl-2,5-dimethoxyphenyl)propan-2-amine
PubChem CID69398998
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(2R)-1-(4-benzyl-2,5-dimethoxyphenyl)propan-2-amine
SMILESCOc1cc(C[C@@H](C)N)c(OC)cc1Cc1ccccc1
InChIInChI=1S/C18H23NO2/c1-13(19)9-15-11-18(21-3)16(12-17(15)20-2)10-14-7-5-4-6-8-14/h4-8,11-13H,9-10,19H2,1-3H3/t13-/m1/s1
InChIKeyFQARCNZVKSYIGI-CYBMUJFWSA-N
XLogP3.18
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[2,5-dimethoxy-4-[(3-methoxyphenyl)methyl]phenyl]propan-2-amine;hydrochloride
CID 69398497
1,5-dibenzyl-2,4-dimethoxybenzene
CID 134865682
1-[2-methoxy-4-(3-phenylpropyl)phenyl]propan-2-amine
CID 10802941
1-benzyl-4-bromo-2,5-dimethoxybenzene
CID 90014270
(2S)-1-(2,5-dimethoxy-4-propylphenyl)propan-2-amine
CID 121489695
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
4-benzyl-3-methoxyaniline
CID 22599955
(2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrobromide
CID 102602641
1-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
CID 170143488
1-(5-chloro-3-methoxy-2-phenylmethoxyphenyl)propan-2-amine
CID 104667048
(2R)-1-[2,6-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine
CID 101064795
1-[2,5-bis(phenylmethoxy)phenyl]propan-2-amine
CID 170864797

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-benzyl-2,5-dimethoxyphenyl)propan-2-amine?
The IUPAC name of (2R)-1-(4-benzyl-2,5-dimethoxyphenyl)propan-2-amine (CID 69398998) is (2R)-1-(4-benzyl-2,5-dimethoxyphenyl)propan-2-amine.
What is the SMILES notation for (2R)-1-(4-benzyl-2,5-dimethoxyphenyl)propan-2-amine?
The canonical SMILES for (2R)-1-(4-benzyl-2,5-dimethoxyphenyl)propan-2-amine is COc1cc(C[C@@H](C)N)c(OC)cc1Cc1ccccc1.
What is the InChIKey of (2R)-1-(4-benzyl-2,5-dimethoxyphenyl)propan-2-amine?
The InChIKey is FQARCNZVKSYIGI-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13(19)9-15-11-18(21-3)16(12-17(15)20-2)10-14-7-5-4-6-8-14/h4-8,11-13H,9-10,19H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-1-(4-benzyl-2,5-dimethoxyphenyl)propan-2-amine?
(2R)-1-(4-benzyl-2,5-dimethoxyphenyl)propan-2-amine has a molecular weight of 285.39 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-benzyl-2,5-dimethoxyphenyl)propan-2-amine is sourced from PubChem (CID 69398998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).