N-ethyl-6-(2,4,4-trimethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine

C19H31NO — CID 43512357

IUPACN-ethyl-6-(2,4,4-trimethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CCOc2ccc(C(C)(C)CC(C)(C)C)cc21
InChIInChI=1S/C19H31NO/c1-7-20-16-10-11-21-17-9-8-14(12-15(16)17)19(5,6)13-18(2,3)4/h8-9,12,16,20H,7,10-11,13H2,1-6H3
InChIKeyFPDUPVQGONYRDD-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.83
Rot. Bonds4

About N-ethyl-6-(2,4,4-trimethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine

N-ethyl-6-(2,4,4-trimethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43512357) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-ethyl-6-(2,4,4-trimethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(2,4,4-trimethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID43512357
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-ethyl-6-(2,4,4-trimethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CCOc2ccc(C(C)(C)CC(C)(C)C)cc21
InChIInChI=1S/C19H31NO/c1-7-20-16-10-11-21-17-9-8-14(12-15(16)17)19(5,6)13-18(2,3)4/h8-9,12,16,20H,7,10-11,13H2,1-6H3
InChIKeyFPDUPVQGONYRDD-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-5-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran-3-amine
CID 43512363
4-(ethylamino)-3,4-dihydro-2H-chromen-6-ol
CID 105447097
4-(ethylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid
CID 105477435
N-ethyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-amine
CID 43512405
(4S)-6-(2-methylbutan-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 79014479
N,2-dimethyl-6-(2,4,4-trimethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43537155
N-methoxy-7-(2-methylbutan-2-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 81481929
6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512617
(4S)-N-(3,3-dimethylbutyl)-3,4-dihydro-2H-chromen-4-amine
CID 94276035
7-butyl-N-ethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 113322711
(5S)-7-(2-methylbutan-2-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 79014175
N',N'-diethyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine
CID 82461432

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2,4,4-trimethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-ethyl-6-(2,4,4-trimethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine (CID 43512357) is N-ethyl-6-(2,4,4-trimethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-ethyl-6-(2,4,4-trimethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-ethyl-6-(2,4,4-trimethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine is CCNC1CCOc2ccc(C(C)(C)CC(C)(C)C)cc21.
What is the InChIKey of N-ethyl-6-(2,4,4-trimethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is FPDUPVQGONYRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-7-20-16-10-11-21-17-9-8-14(12-15(16)17)19(5,6)13-18(2,3)4/h8-9,12,16,20H,7,10-11,13H2,1-6H3.
What are the key properties of N-ethyl-6-(2,4,4-trimethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
N-ethyl-6-(2,4,4-trimethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 289.46 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2,4,4-trimethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43512357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).