N,N-diethyl-2H-chromen-7-amine

C13H17NO — CID 10750672

IUPACN,N-diethyl-2H-chromen-7-amine
SMILESCCN(CC)c1ccc2c(c1)OCC=C2
InChIInChI=1S/C13H17NO/c1-3-14(4-2)12-8-7-11-6-5-9-15-13(11)10-12/h5-8,10H,3-4,9H2,1-2H3
InChIKeyOSUYDVDWYHEXPZ-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.94
Rot. Bonds3

About N,N-diethyl-2H-chromen-7-amine

N,N-diethyl-2H-chromen-7-amine (PubChem CID 10750672) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is N,N-diethyl-2H-chromen-7-amine.

Molecular Properties

Compound NameN,N-diethyl-2H-chromen-7-amine
PubChem CID10750672
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC NameN,N-diethyl-2H-chromen-7-amine
SMILESCCN(CC)c1ccc2c(c1)OCC=C2
InChIInChI=1S/C13H17NO/c1-3-14(4-2)12-8-7-11-6-5-9-15-13(11)10-12/h5-8,10H,3-4,9H2,1-2H3
InChIKeyOSUYDVDWYHEXPZ-UHFFFAOYSA-N
XLogP2.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

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1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
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N,N-diethylbenzo[d][1]benzoxepin-3-amine
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CID 101359385
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
2H-chromene;1,1,2,2-tetrafluoroethene
CID 70228304
CID 174654429
CID 174654429
N,N-diethyl-3-(5-methyl-1,3-benzoxazol-2-yl)-2H-chromen-7-amine
CID 141096500
N,N-diethyl-4-fluoroaniline
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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2H-chromen-7-amine?
The IUPAC name of N,N-diethyl-2H-chromen-7-amine (CID 10750672) is N,N-diethyl-2H-chromen-7-amine.
What is the SMILES notation for N,N-diethyl-2H-chromen-7-amine?
The canonical SMILES for N,N-diethyl-2H-chromen-7-amine is CCN(CC)c1ccc2c(c1)OCC=C2.
What is the InChIKey of N,N-diethyl-2H-chromen-7-amine?
The InChIKey is OSUYDVDWYHEXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-14(4-2)12-8-7-11-6-5-9-15-13(11)10-12/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of N,N-diethyl-2H-chromen-7-amine?
N,N-diethyl-2H-chromen-7-amine has a molecular weight of 203.28 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2H-chromen-7-amine is sourced from PubChem (CID 10750672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).