(1R)-N-[(2,4-dimethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine

C21H23NO2 — CID 30624473

IUPAC(1R)-N-[(2,4-dimethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
SMILESCOc1ccc(CN[C@H](C)c2cccc3ccccc23)c(OC)c1
InChIInChI=1S/C21H23NO2/c1-15(19-10-6-8-16-7-4-5-9-20(16)19)22-14-17-11-12-18(23-2)13-21(17)24-3/h4-13,15,22H,14H2,1-3H3/t15-/m1/s1
InChIKeyPNYXMFBAZQFVCE-OAHLLOKOSA-N
MW321.42 g/mol
LogP4.71
Rot. Bonds6

About (1R)-N-[(2,4-dimethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine

(1R)-N-[(2,4-dimethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine (PubChem CID 30624473) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is (1R)-N-[(2,4-dimethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(2,4-dimethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
PubChem CID30624473
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name(1R)-N-[(2,4-dimethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
SMILESCOc1ccc(CN[C@H](C)c2cccc3ccccc23)c(OC)c1
InChIInChI=1S/C21H23NO2/c1-15(19-10-6-8-16-7-4-5-9-20(16)19)22-14-17-11-12-18(23-2)13-21(17)24-3/h4-13,15,22H,14H2,1-3H3/t15-/m1/s1
InChIKeyPNYXMFBAZQFVCE-OAHLLOKOSA-N
XLogP4.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 30624665
N-[(2,4-dimethoxyphenyl)methyl]-1-phenylethanamine;oxalic acid
CID 17052931
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43182657
1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine
CID 43080290
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
N-[(3-chloro-4-methoxyphenyl)methyl]-1-naphthalen-1-ylethanamine;hydrochloride
CID 18357734
1-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43079660
2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylacetamide
CID 16913160
(1S)-1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 101003205
N-[(2-iodophenyl)methyl]-1-naphthalen-1-ylethanamine
CID 68766120
N-[(4-ethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 60590175
2-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]-5-methoxyphenol
CID 81379403

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2,4-dimethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine?
The IUPAC name of (1R)-N-[(2,4-dimethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine (CID 30624473) is (1R)-N-[(2,4-dimethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine.
What is the SMILES notation for (1R)-N-[(2,4-dimethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine?
The canonical SMILES for (1R)-N-[(2,4-dimethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine is COc1ccc(CN[C@H](C)c2cccc3ccccc23)c(OC)c1.
What is the InChIKey of (1R)-N-[(2,4-dimethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine?
The InChIKey is PNYXMFBAZQFVCE-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23NO2/c1-15(19-10-6-8-16-7-4-5-9-20(16)19)22-14-17-11-12-18(23-2)13-21(17)24-3/h4-13,15,22H,14H2,1-3H3/t15-/m1/s1.
What are the key properties of (1R)-N-[(2,4-dimethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine?
(1R)-N-[(2,4-dimethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine has a molecular weight of 321.42 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2,4-dimethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 30624473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).