N-ethyl-2-methyl-3,4-dihydro-2H-benzo[h]chromen-4-amine

C16H19NO — CID 43536929

IUPACN-ethyl-2-methyl-3,4-dihydro-2H-benzo[h]chromen-4-amine
SMILESCCNC1CC(C)Oc2c1ccc1ccccc21
InChIInChI=1S/C16H19NO/c1-3-17-15-10-11(2)18-16-13-7-5-4-6-12(13)8-9-14(15)16/h4-9,11,15,17H,3,10H2,1-2H3
InChIKeyRFOLBHSNPVFFPZ-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.66
Rot. Bonds2

About N-ethyl-2-methyl-3,4-dihydro-2H-benzo[h]chromen-4-amine

N-ethyl-2-methyl-3,4-dihydro-2H-benzo[h]chromen-4-amine (PubChem CID 43536929) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-ethyl-2-methyl-3,4-dihydro-2H-benzo[h]chromen-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-3,4-dihydro-2H-benzo[h]chromen-4-amine
PubChem CID43536929
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-ethyl-2-methyl-3,4-dihydro-2H-benzo[h]chromen-4-amine
SMILESCCNC1CC(C)Oc2c1ccc1ccccc21
InChIInChI=1S/C16H19NO/c1-3-17-15-10-11(2)18-16-13-7-5-4-6-12(13)8-9-14(15)16/h4-9,11,15,17H,3,10H2,1-2H3
InChIKeyRFOLBHSNPVFFPZ-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,13R)-12,24-dioxa-25-azoniahexacyclo[11.11.1.02,11.05,10.014,23.017,22]pentacosa-2(11),3,5,7,9,14(23),15,17,19,21-decaene
CID 11896403
N,2-dipropyl-2,3-dihydrobenzo[g][1]benzofuran-3-amine
CID 83049499
N,2,8-trimethyl-3,4-dihydro-2H-chromen-4-amine
CID 43536914
2-(2,3-dimethylphenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712172
2-(2,3-dichlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712236
N-methoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-4-amine
CID 81480683
8-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 43512509
N-ethyl-4-methyl-1,3,4,5-tetrahydrobenzo[i][2]benzothiepin-5-amine
CID 82890007
2-methyl-N-propan-2-yl-8-propoxy-3,4-dihydro-2H-chromen-4-amine
CID 43537264
3-methyl-3,4-dihydro-2H-benzo[h]chromen-4-amine
CID 43537547
N-ethyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114712233
(2S,4R)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-benzo[h]chromen-4-ol
CID 10384269

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-3,4-dihydro-2H-benzo[h]chromen-4-amine?
The IUPAC name of N-ethyl-2-methyl-3,4-dihydro-2H-benzo[h]chromen-4-amine (CID 43536929) is N-ethyl-2-methyl-3,4-dihydro-2H-benzo[h]chromen-4-amine.
What is the SMILES notation for N-ethyl-2-methyl-3,4-dihydro-2H-benzo[h]chromen-4-amine?
The canonical SMILES for N-ethyl-2-methyl-3,4-dihydro-2H-benzo[h]chromen-4-amine is CCNC1CC(C)Oc2c1ccc1ccccc21.
What is the InChIKey of N-ethyl-2-methyl-3,4-dihydro-2H-benzo[h]chromen-4-amine?
The InChIKey is RFOLBHSNPVFFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-17-15-10-11(2)18-16-13-7-5-4-6-12(13)8-9-14(15)16/h4-9,11,15,17H,3,10H2,1-2H3.
What are the key properties of N-ethyl-2-methyl-3,4-dihydro-2H-benzo[h]chromen-4-amine?
N-ethyl-2-methyl-3,4-dihydro-2H-benzo[h]chromen-4-amine has a molecular weight of 241.33 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-3,4-dihydro-2H-benzo[h]chromen-4-amine is sourced from PubChem (CID 43536929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).