N-[(4-methoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine

C19H23NO2 — CID 82461561

IUPACN-[(4-methoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc(CNC2CCOc3cc(C)c(C)cc32)cc1
InChIInChI=1S/C19H23NO2/c1-13-10-17-18(8-9-22-19(17)11-14(13)2)20-12-15-4-6-16(21-3)7-5-15/h4-7,10-11,18,20H,8-9,12H2,1-3H3
InChIKeyPOBQTRVQBBSLAQ-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.93
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine

N-[(4-methoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82461561) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID82461561
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc(CNC2CCOc3cc(C)c(C)cc32)cc1
InChIInChI=1S/C19H23NO2/c1-13-10-17-18(8-9-22-19(17)11-14(13)2)20-12-15-4-6-16(21-3)7-5-15/h4-7,10-11,18,20H,8-9,12H2,1-3H3
InChIKeyPOBQTRVQBBSLAQ-UHFFFAOYSA-N
XLogP3.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 12851988
6,7-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461557
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 106370657
8-chloro-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 82461632
6-fluoro-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 82461647
N-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 82461749
6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43756306
N-hexyl-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 82461541
N-butyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 82461741
6-methoxy-N-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-4-amine
CID 103522678
(2R)-1-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol
CID 113349398
2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-4-methoxyphenol
CID 43723819

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine (CID 82461561) is N-[(4-methoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine is COc1ccc(CNC2CCOc3cc(C)c(C)cc32)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is POBQTRVQBBSLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-13-10-17-18(8-9-22-19(17)11-14(13)2)20-12-15-4-6-16(21-3)7-5-15/h4-7,10-11,18,20H,8-9,12H2,1-3H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine?
N-[(4-methoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 297.40 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82461561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).