6-chloro-5,7-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine

C16H24ClNO — CID 82461710

IUPAC6-chloro-5,7-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cc2c(c(C)c1Cl)C(NCCC(C)C)CCO2
InChIInChI=1S/C16H24ClNO/c1-10(2)5-7-18-13-6-8-19-14-9-11(3)16(17)12(4)15(13)14/h9-10,13,18H,5-8H2,1-4H3
InChIKeyYFZAJJPACZPMOS-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.42
Rot. Bonds4

About 6-chloro-5,7-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine

6-chloro-5,7-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82461710) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 6-chloro-5,7-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-chloro-5,7-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID82461710
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name6-chloro-5,7-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cc2c(c(C)c1Cl)C(NCCC(C)C)CCO2
InChIInChI=1S/C16H24ClNO/c1-10(2)5-7-18-13-6-8-19-14-9-11(3)16(17)12(4)15(13)14/h9-10,13,18H,5-8H2,1-4H3
InChIKeyYFZAJJPACZPMOS-UHFFFAOYSA-N
XLogP4.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-chloro-5,7-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-N-ethyl-5,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 43512713
6,8-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461532
6-chloro-2,2,5,7-tetramethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 82461928
7-chloro-6,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43175689
7-chloro-6,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepine-5-carbonitrile
CID 82243370
5,7-dichloro-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 43621790
6-chloro-N-ethyl-5,7-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 82462914
6-methoxy-N-(4-methylpentyl)-3,4-dihydro-2H-chromen-4-amine
CID 54914211
N-hexyl-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 82461541
6-chloro-2,2-diethyl-N,5,7-trimethyl-3,4-dihydrochromen-4-amine
CID 82462545
6-chloro-N,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 82461683
N-(3,4-dihydro-2H-1,5-benzodioxepin-4-ylmethyl)-3-methylbutan-1-amine
CID 82461346

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5,7-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-chloro-5,7-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine (CID 82461710) is 6-chloro-5,7-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-chloro-5,7-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-chloro-5,7-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine is Cc1cc2c(c(C)c1Cl)C(NCCC(C)C)CCO2.
What is the InChIKey of 6-chloro-5,7-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is YFZAJJPACZPMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-10(2)5-7-18-13-6-8-19-14-9-11(3)16(17)12(4)15(13)14/h9-10,13,18H,5-8H2,1-4H3.
What are the key properties of 6-chloro-5,7-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine?
6-chloro-5,7-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 281.83 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5,7-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82461710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).