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

C19H22ClNO3 — CID 47627967

IUPAC8-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCCOc1ccc(CNC2CCOc3c(Cl)cccc32)cc1OC
InChIInChI=1S/C19H22ClNO3/c1-3-23-17-8-7-13(11-18(17)22-2)12-21-16-9-10-24-19-14(16)5-4-6-15(19)20/h4-8,11,16,21H,3,9-10,12H2,1-2H3
InChIKeyREJJMYDYZODTGD-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.36
Rot. Bonds6

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

8-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 47627967) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 8-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name8-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID47627967
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name8-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCCOc1ccc(CNC2CCOc3c(Cl)cccc32)cc1OC
InChIInChI=1S/C19H22ClNO3/c1-3-23-17-8-7-13(11-18(17)22-2)12-21-16-9-10-24-19-14(16)5-4-6-15(19)20/h4-8,11,16,21H,3,9-10,12H2,1-2H3
InChIKeyREJJMYDYZODTGD-UHFFFAOYSA-N
XLogP4.36
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-[[(8-chloro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]-2-methoxyphenoxy]butanenitrile
CID 49249118
8-chloro-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 82461632
(5R)-9-chloro-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 97229876
(4S)-8-chloro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 95183007
N-benzyl-8-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 82461734
8-methoxy-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461727
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 56827821
4-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62314200
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 43215907
4-[(4-ethoxy-3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509717
(1R,4S)-4-(3,4-dichlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 164611414
(4R)-8-chloro-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 94825583

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 8-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine (CID 47627967) is 8-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 8-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 8-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine is CCOc1ccc(CNC2CCOc3c(Cl)cccc32)cc1OC.
What is the InChIKey of 8-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is REJJMYDYZODTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-3-23-17-8-7-13(11-18(17)22-2)12-21-16-9-10-24-19-14(16)5-4-6-15(19)20/h4-8,11,16,21H,3,9-10,12H2,1-2H3.
What are the key properties of 8-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
8-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 347.84 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 47627967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).