N-(2-chloro-5-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine

C18H20ClNO — CID 107631116

IUPACN-(2-chloro-5-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESCc1ccc(Cl)c(NC2CC(C)(C)Oc3ccccc32)c1
InChIInChI=1S/C18H20ClNO/c1-12-8-9-14(19)15(10-12)20-16-11-18(2,3)21-17-7-5-4-6-13(16)17/h4-10,16,20H,11H2,1-3H3
InChIKeyUYAPXOQZMPEWIZ-UHFFFAOYSA-N
MW301.82 g/mol
LogP5.36
Rot. Bonds2

About N-(2-chloro-5-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine

N-(2-chloro-5-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine (PubChem CID 107631116) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound NameN-(2-chloro-5-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
PubChem CID107631116
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC NameN-(2-chloro-5-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESCc1ccc(Cl)c(NC2CC(C)(C)Oc3ccccc32)c1
InChIInChI=1S/C18H20ClNO/c1-12-8-9-14(19)15(10-12)20-16-11-18(2,3)21-17-7-5-4-6-13(16)17/h4-10,16,20H,11H2,1-3H3
InChIKeyUYAPXOQZMPEWIZ-UHFFFAOYSA-N
XLogP5.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.82
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 103936660
N-(3-bromo-4-chlorophenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81139547
N-(4-fluoro-2-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81139709
4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-3-methylphenol
CID 81140231
N-(4-bromo-3-chlorophenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 107619094
2-chloro-4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]phenol
CID 107678554
N-(2-bromo-5-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 107633218
2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpyridin-3-amine
CID 81141496
5-bromo-2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 133164751
methyl 4-chloro-3-[[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]carbamothioylamino]benzoate
CID 100684829
2,2-dimethyl-N-thiophen-3-yl-3,4-dihydrochromen-4-amine
CID 81142463
2,2-dimethyl-N-(4-methylsulfanylphenyl)-3,4-dihydrochromen-4-amine
CID 81139369

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The IUPAC name of N-(2-chloro-5-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine (CID 107631116) is N-(2-chloro-5-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for N-(2-chloro-5-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for N-(2-chloro-5-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine is Cc1ccc(Cl)c(NC2CC(C)(C)Oc3ccccc32)c1.
What is the InChIKey of N-(2-chloro-5-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The InChIKey is UYAPXOQZMPEWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-12-8-9-14(19)15(10-12)20-16-11-18(2,3)21-17-7-5-4-6-13(16)17/h4-10,16,20H,11H2,1-3H3.
What are the key properties of N-(2-chloro-5-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine?
N-(2-chloro-5-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine has a molecular weight of 301.82 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 107631116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).