8-chloro-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine

C17H18ClNO2 — CID 82461632

IUPAC8-chloro-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc(CNC2CCOc3c(Cl)cccc32)cc1
InChIInChI=1S/C17H18ClNO2/c1-20-13-7-5-12(6-8-13)11-19-16-9-10-21-17-14(16)3-2-4-15(17)18/h2-8,16,19H,9-11H2,1H3
InChIKeyFQUMOWBDLVGYMF-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.96
Rot. Bonds4

About 8-chloro-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine

8-chloro-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82461632) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 8-chloro-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name8-chloro-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID82461632
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name8-chloro-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc(CNC2CCOc3c(Cl)cccc32)cc1
InChIInChI=1S/C17H18ClNO2/c1-20-13-7-5-12(6-8-13)11-19-16-9-10-21-17-14(16)3-2-4-15(17)18/h2-8,16,19H,9-11H2,1H3
InChIKeyFQUMOWBDLVGYMF-UHFFFAOYSA-N
XLogP3.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 47627967
N-benzyl-8-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 82461734
(4S)-8-chloro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 95183007
4-[5-[[(8-chloro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]-2-methoxyphenoxy]butanenitrile
CID 49249118
8-methoxy-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461727
(5R)-9-chloro-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 97229876
N-[(4-methoxyphenyl)methyl]-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 82461561
(4R)-8-chloro-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 94825583
N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 12851988
(1R,4R)-4-(3,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 69189375
4-fluoro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 78978052
8-ethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461396

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 8-chloro-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine (CID 82461632) is 8-chloro-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 8-chloro-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 8-chloro-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine is COc1ccc(CNC2CCOc3c(Cl)cccc32)cc1.
What is the InChIKey of 8-chloro-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is FQUMOWBDLVGYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-20-13-7-5-12(6-8-13)11-19-16-9-10-21-17-14(16)3-2-4-15(17)18/h2-8,16,19H,9-11H2,1H3.
What are the key properties of 8-chloro-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
8-chloro-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 303.79 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82461632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).