7-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine

C18H29NO2 — CID 82462317

IUPAC7-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine
SMILESCCCCOc1ccc2c(c1)OC(C)(CC)CC2NCC
InChIInChI=1S/C18H29NO2/c1-5-8-11-20-14-9-10-15-16(19-7-3)13-18(4,6-2)21-17(15)12-14/h9-10,12,16,19H,5-8,11,13H2,1-4H3
InChIKeyUJYRDFJYGTZLDW-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.47
Rot. Bonds7

About 7-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine

7-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine (PubChem CID 82462317) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 7-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name7-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine
PubChem CID82462317
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name7-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine
SMILESCCCCOc1ccc2c(c1)OC(C)(CC)CC2NCC
InChIInChI=1S/C18H29NO2/c1-5-8-11-20-14-9-10-15-16(19-7-3)13-18(4,6-2)21-17(15)12-14/h9-10,12,16,19H,5-8,11,13H2,1-4H3
InChIKeyUJYRDFJYGTZLDW-UHFFFAOYSA-N
XLogP4.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 82462351
N,2-diethyl-2-methyl-7-(2-methylpropoxy)-3,4-dihydrochromen-4-amine
CID 82462320
2-ethyl-2-methyl-N-(2-methylpropyl)-7-propoxy-3,4-dihydrochromen-4-amine
CID 82462306
N-butyl-2-ethyl-2,7-dimethyl-3,4-dihydrochromen-4-amine
CID 82462139
N-ethyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63097103
7-butan-2-yloxy-N,2,2-triethyl-3,4-dihydrochromen-4-amine
CID 82462571
2-ethyl-2-methyl-N-pentyl-3,4-dihydrochromen-4-amine
CID 82462123
N-ethyl-7-methoxy-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine
CID 114710986
2-cyclopropyl-N,2-diethyl-7-methoxy-3,4-dihydrochromen-4-amine
CID 114710996
7-(methoxymethoxy)-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 65365816
N-butyl-2,2-dimethyl-6-propoxy-3,4-dihydrochromen-4-amine
CID 82461986
7-bromo-N-ethyl-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 114711811

Frequently Asked Questions

What is the IUPAC name of 7-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 7-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine (CID 82462317) is 7-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 7-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 7-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine is CCCCOc1ccc2c(c1)OC(C)(CC)CC2NCC.
What is the InChIKey of 7-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine?
The InChIKey is UJYRDFJYGTZLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-8-11-20-14-9-10-15-16(19-7-3)13-18(4,6-2)21-17(15)12-14/h9-10,12,16,19H,5-8,11,13H2,1-4H3.
What are the key properties of 7-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine?
7-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine has a molecular weight of 291.44 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 82462317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).