[2-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-ethylcyclohexyl]methanamine

C19H29NO — CID 104772516

IUPAC[2-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)C(CC2CCOc3ccccc32)C1
InChIInChI=1S/C19H29NO/c1-2-14-7-8-16(13-20)17(11-14)12-15-9-10-21-19-6-4-3-5-18(15)19/h3-6,14-17H,2,7-13,20H2,1H3
InChIKeyJYYUOGUHIKIXAA-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.34
Rot. Bonds4

About [2-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-ethylcyclohexyl]methanamine

[2-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-ethylcyclohexyl]methanamine (PubChem CID 104772516) 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-ylmethyl)-4-ethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-ethylcyclohexyl]methanamine
PubChem CID104772516
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name[2-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)C(CC2CCOc3ccccc32)C1
InChIInChI=1S/C19H29NO/c1-2-14-7-8-16(13-20)17(11-14)12-15-9-10-21-19-6-4-3-5-18(15)19/h3-6,14-17H,2,7-13,20H2,1H3
InChIKeyJYYUOGUHIKIXAA-UHFFFAOYSA-N
XLogP4.34
TPSA35.25 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 ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propylcyclohexan-1-ol
CID 104770871
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
2-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclobutane-1-carboxylic acid
CID 104772491
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclohexan-1-amine
CID 115653655
[1-(3,4-dihydro-2H-chromen-4-yl)-4-ethylpiperidin-2-yl]methanamine
CID 103351884
3-(3,4-dihydro-2H-chromen-4-ylmethyl)cycloheptan-1-amine
CID 104771828
3-(3,4-dihydro-2H-chromen-4-ylmethyl)oxan-4-ol
CID 106471269
3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylcyclopentan-1-one
CID 104771813
2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
CID 175798234
[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]methanamine
CID 113451461

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-ethylcyclohexyl]methanamine?
The IUPAC name of [2-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-ethylcyclohexyl]methanamine (CID 104772516) is [2-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-ethylcyclohexyl]methanamine.
What is the SMILES notation for [2-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-ethylcyclohexyl]methanamine?
The canonical SMILES for [2-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-ethylcyclohexyl]methanamine is CCC1CCC(CN)C(CC2CCOc3ccccc32)C1.
What is the InChIKey of [2-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-ethylcyclohexyl]methanamine?
The InChIKey is JYYUOGUHIKIXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-2-14-7-8-16(13-20)17(11-14)12-15-9-10-21-19-6-4-3-5-18(15)19/h3-6,14-17H,2,7-13,20H2,1H3.
What are the key properties of [2-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-ethylcyclohexyl]methanamine?
[2-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-ethylcyclohexyl]methanamine has a molecular weight of 287.45 g/mol, XLogP of 4.34, 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-ylmethyl)-4-ethylcyclohexyl]methanamine is sourced from PubChem (CID 104772516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).