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

C18H29NO2 — CID 82462351

IUPAC6-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine
SMILESCCCCOc1ccc2c(c1)C(NCC)CC(C)(CC)O2
InChIInChI=1S/C18H29NO2/c1-5-8-11-20-14-9-10-17-15(12-14)16(19-7-3)13-18(4,6-2)21-17/h9-10,12,16,19H,5-8,11,13H2,1-4H3
InChIKeyNLKZSZGHQAIEMB-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.47
Rot. Bonds7

About 6-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine

6-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine (PubChem CID 82462351) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 6-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name6-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine
PubChem CID82462351
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name6-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine
SMILESCCCCOc1ccc2c(c1)C(NCC)CC(C)(CC)O2
InChIInChI=1S/C18H29NO2/c1-5-8-11-20-14-9-10-17-15(12-14)16(19-7-3)13-18(4,6-2)21-17/h9-10,12,16,19H,5-8,11,13H2,1-4H3
InChIKeyNLKZSZGHQAIEMB-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

7-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 82462317
N-butyl-2,2-dimethyl-6-propoxy-3,4-dihydrochromen-4-amine
CID 82461986
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
2-ethyl-N-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-amine
CID 82462153
N-ethyl-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-amine
CID 114712696
N,2,2-triethyl-6-propan-2-yloxy-3,4-dihydrochromen-4-amine
CID 82462595
6-ethoxy-N-hexyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 82461979
6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 11831848
2-ethyl-2-methyl-N-pentyl-3,4-dihydrochromen-4-amine
CID 82462123
N-butyl-2,2-diethyl-6-methoxy-3,4-dihydrochromen-4-amine
CID 82462581
N-butyl-2-ethyl-2,7-dimethyl-3,4-dihydrochromen-4-amine
CID 82462139

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 6-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine (CID 82462351) is 6-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 6-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 6-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine is CCCCOc1ccc2c(c1)C(NCC)CC(C)(CC)O2.
What is the InChIKey of 6-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine?
The InChIKey is NLKZSZGHQAIEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-8-11-20-14-9-10-17-15(12-14)16(19-7-3)13-18(4,6-2)21-17/h9-10,12,16,19H,5-8,11,13H2,1-4H3.
What are the key properties of 6-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine?
6-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 6-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 82462351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).