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

C17H18ClNO2 — CID 43772699

IUPACN-(2-chloro-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)C(Nc1ccc(C)cc1Cl)CCO2
InChIInChI=1S/C17H18ClNO2/c1-11-3-5-16(14(18)9-11)19-15-7-8-21-17-6-4-12(20-2)10-13(15)17/h3-6,9-10,15,19H,7-8H2,1-2H3
InChIKeyRCDGRZLFANIUDI-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.59
Rot. Bonds3

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

N-(2-chloro-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43772699) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID43772699
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-(2-chloro-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)C(Nc1ccc(C)cc1Cl)CCO2
InChIInChI=1S/C17H18ClNO2/c1-11-3-5-16(14(18)9-11)19-15-7-8-21-17-6-4-12(20-2)10-13(15)17/h3-6,9-10,15,19H,7-8H2,1-2H3
InChIKeyRCDGRZLFANIUDI-UHFFFAOYSA-N
XLogP4.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 43763115
6-bromo-N-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 62871864
N-(2,5-dibromophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 43789312
N-(2-chloro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 103936660
6-methoxy-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromen-4-amine
CID 82720276
6-bromo-N-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43765929
N-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 81482054
6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43756306
2-(3,4-dihydro-2H-chromen-4-ylamino)-4-methoxybenzonitrile
CID 81296353
N-(2-cyclopropylpropyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 115713963
N-(3-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 43765168
3-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]benzonitrile
CID 43762546

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(2-chloro-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine (CID 43772699) is N-(2-chloro-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine is COc1ccc2c(c1)C(Nc1ccc(C)cc1Cl)CCO2.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is RCDGRZLFANIUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-11-3-5-16(14(18)9-11)19-15-7-8-21-17-6-4-12(20-2)10-13(15)17/h3-6,9-10,15,19H,7-8H2,1-2H3.
What are the key properties of N-(2-chloro-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
N-(2-chloro-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 303.79 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43772699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).