N-(2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine

C16H16ClNO2 — CID 43763115

IUPACN-(2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)C(Nc1ccccc1Cl)CCO2
InChIInChI=1S/C16H16ClNO2/c1-19-11-6-7-16-12(10-11)14(8-9-20-16)18-15-5-3-2-4-13(15)17/h2-7,10,14,18H,8-9H2,1H3
InChIKeyHTUJYURZIHKYKG-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.28
Rot. Bonds3

About N-(2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine

N-(2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43763115) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID43763115
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC NameN-(2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)C(Nc1ccccc1Cl)CCO2
InChIInChI=1S/C16H16ClNO2/c1-19-11-6-7-16-12(10-11)14(8-9-20-16)18-15-5-3-2-4-13(15)17/h2-7,10,14,18H,8-9H2,1H3
InChIKeyHTUJYURZIHKYKG-UHFFFAOYSA-N
XLogP4.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 43772699
N-(2-chlorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366654
N-(2,5-dibromophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 43789312
2-(3,4-dihydro-2H-chromen-4-ylamino)-4-methoxybenzonitrile
CID 81296353
N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 12851988
6-bromo-N-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 62871864
3-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]benzonitrile
CID 43762546
N-(3-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 43765168
6-methoxy-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromen-4-amine
CID 82720276
[3-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]phenyl]methanol
CID 43784761
N-(2-chloro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 103936660
6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43756306

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine (CID 43763115) is N-(2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine is COc1ccc2c(c1)C(Nc1ccccc1Cl)CCO2.
What is the InChIKey of N-(2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is HTUJYURZIHKYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-19-11-6-7-16-12(10-11)14(8-9-20-16)18-15-5-3-2-4-13(15)17/h2-7,10,14,18H,8-9H2,1H3.
What are the key properties of N-(2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
N-(2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 289.76 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43763115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).