N-[[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-phenylethanamine

C21H27NO2 — CID 70456029

IUPACN-[[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-phenylethanamine
SMILESCOc1ccc2c(c1)[C@H](CNC(C)c1ccccc1)CC(C)(C)O2
InChIInChI=1S/C21H27NO2/c1-15(16-8-6-5-7-9-16)22-14-17-13-21(2,3)24-20-11-10-18(23-4)12-19(17)20/h5-12,15,17,22H,13-14H2,1-4H3/t15?,17-/m0/s1
InChIKeyJJOXCTBVWGNNRX-LWKPJOBUSA-N
MW325.45 g/mol
LogP4.69
Rot. Bonds5

About N-[[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-phenylethanamine

N-[[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-phenylethanamine (PubChem CID 70456029) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-[[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-phenylethanamine
PubChem CID70456029
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-[[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-phenylethanamine
SMILESCOc1ccc2c(c1)[C@H](CNC(C)c1ccccc1)CC(C)(C)O2
InChIInChI=1S/C21H27NO2/c1-15(16-8-6-5-7-9-16)22-14-17-13-21(2,3)24-20-11-10-18(23-4)12-19(17)20/h5-12,15,17,22H,13-14H2,1-4H3/t15?,17-/m0/s1
InChIKeyJJOXCTBVWGNNRX-LWKPJOBUSA-N
XLogP4.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-phenylethanamine with MolForge

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Related Compounds

6-methoxy-2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine
CID 82461976
1-N-[[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-N'-phenylethane-1,1-diamine
CID 88677930
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-phenylsulfanylacetamide
CID 132653944
6-methoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64698499
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methylpropanamide
CID 95875389
N-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 113348515
1-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-phenylthiourea
CID 99997514
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 79206268
6-methoxy-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-ol
CID 114715296
2-benzylsulfanyl-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132655804
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-propan-2-ylsulfanylbenzamide
CID 132658177
(1R)-N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 104889511

Frequently Asked Questions

What is the IUPAC name of N-[[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-phenylethanamine?
The IUPAC name of N-[[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-phenylethanamine (CID 70456029) is N-[[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-phenylethanamine.
What is the SMILES notation for N-[[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-phenylethanamine?
The canonical SMILES for N-[[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-phenylethanamine is COc1ccc2c(c1)[C@H](CNC(C)c1ccccc1)CC(C)(C)O2.
What is the InChIKey of N-[[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-phenylethanamine?
The InChIKey is JJOXCTBVWGNNRX-LWKPJOBUSA-N. The full InChI is InChI=1S/C21H27NO2/c1-15(16-8-6-5-7-9-16)22-14-17-13-21(2,3)24-20-11-10-18(23-4)12-19(17)20/h5-12,15,17,22H,13-14H2,1-4H3/t15?,17-/m0/s1.
What are the key properties of N-[[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-phenylethanamine?
N-[[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-phenylethanamine has a molecular weight of 325.45 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-phenylethanamine is sourced from PubChem (CID 70456029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).