2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(1-methylcyclohexyl)ethanamine

C19H29NO — CID 106830543

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(1-methylcyclohexyl)ethanamine
SMILESCNC(CC1CCOc2ccccc21)C1(C)CCCCC1
InChIInChI=1S/C19H29NO/c1-19(11-6-3-7-12-19)18(20-2)14-15-10-13-21-17-9-5-4-8-16(15)17/h4-5,8-9,15,18,20H,3,6-7,10-14H2,1-2H3
InChIKeyHKOZZKHANNFHPO-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.50
Rot. Bonds4

About 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(1-methylcyclohexyl)ethanamine

2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(1-methylcyclohexyl)ethanamine (PubChem CID 106830543) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(1-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(1-methylcyclohexyl)ethanamine
PubChem CID106830543
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(1-methylcyclohexyl)ethanamine
SMILESCNC(CC1CCOc2ccccc21)C1(C)CCCCC1
InChIInChI=1S/C19H29NO/c1-19(11-6-3-7-12-19)18(20-2)14-15-10-13-21-17-9-5-4-8-16(15)17/h4-5,8-9,15,18,20H,3,6-7,10-14H2,1-2H3
InChIKeyHKOZZKHANNFHPO-UHFFFAOYSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(2-methyloxolan-2-yl)ethanamine
CID 104770514
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylbutan-2-amine
CID 104770168
1-cyclobutyl-3-(3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-2-amine
CID 103169448
3-(3,4-dihydro-2H-chromen-4-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 103517069
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-pyridin-2-ylethanamine
CID 104770144
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluoro-N-methylbutan-2-amine
CID 104770235
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(thiolan-2-yl)ethanamine
CID 104770544
1-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclopentan-1-ol
CID 104769122
2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,2-dimethylcyclopropyl)ethanamine
CID 107004950
[1-(3,4-dihydro-2H-chromen-4-ylmethoxy)cyclohexyl]methanamine
CID 104768023
1-cyclohexyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine
CID 104770185

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(1-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(1-methylcyclohexyl)ethanamine (CID 106830543) is 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(1-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(1-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(1-methylcyclohexyl)ethanamine is CNC(CC1CCOc2ccccc21)C1(C)CCCCC1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(1-methylcyclohexyl)ethanamine?
The InChIKey is HKOZZKHANNFHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-19(11-6-3-7-12-19)18(20-2)14-15-10-13-21-17-9-5-4-8-16(15)17/h4-5,8-9,15,18,20H,3,6-7,10-14H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(1-methylcyclohexyl)ethanamine?
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(1-methylcyclohexyl)ethanamine has a molecular weight of 287.45 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(1-methylcyclohexyl)ethanamine is sourced from PubChem (CID 106830543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).