N-butyl-2,2-diethyl-6-methoxy-3,4-dihydrochromen-4-amine

C18H29NO2 — CID 82462581

IUPACN-butyl-2,2-diethyl-6-methoxy-3,4-dihydrochromen-4-amine
SMILESCCCCNC1CC(CC)(CC)Oc2ccc(OC)cc21
InChIInChI=1S/C18H29NO2/c1-5-8-11-19-16-13-18(6-2,7-3)21-17-10-9-14(20-4)12-15(16)17/h9-10,12,16,19H,5-8,11,13H2,1-4H3
InChIKeyNRIOLXDNSUDMNR-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.47
Rot. Bonds7

About N-butyl-2,2-diethyl-6-methoxy-3,4-dihydrochromen-4-amine

N-butyl-2,2-diethyl-6-methoxy-3,4-dihydrochromen-4-amine (PubChem CID 82462581) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-butyl-2,2-diethyl-6-methoxy-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound NameN-butyl-2,2-diethyl-6-methoxy-3,4-dihydrochromen-4-amine
PubChem CID82462581
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-butyl-2,2-diethyl-6-methoxy-3,4-dihydrochromen-4-amine
SMILESCCCCNC1CC(CC)(CC)Oc2ccc(OC)cc21
InChIInChI=1S/C18H29NO2/c1-5-8-11-19-16-13-18(6-2,7-3)21-17-10-9-14(20-4)12-15(16)17/h9-10,12,16,19H,5-8,11,13H2,1-4H3
InChIKeyNRIOLXDNSUDMNR-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

2-ethyl-6-methoxy-2-(methoxymethyl)-N-propyl-3,4-dihydrochromen-4-amine
CID 114713126
2,2-diethyl-6-methoxy-N-methyl-3,4-dihydrochromen-4-amine
CID 82462579
6-methoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64698499
2,2-diethyl-N-pentyl-3,4-dihydrochromen-4-amine
CID 82462447
6-methoxy-N-methyl-2,2-dipropyl-3,4-dihydrochromen-4-amine
CID 114712983
N-butyl-6,6-diethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-amine
CID 82462644
3',6-dimethoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825146
N-butyl-2,2-dimethyl-6-propoxy-3,4-dihydrochromen-4-amine
CID 82461986
6-methoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713133
2-butyl-2-ethyl-6-methoxy-3,4-dihydrochromen-4-ol
CID 114715453
N,2,2-triethyl-6-propan-2-yloxy-3,4-dihydrochromen-4-amine
CID 82462595
N-butyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462754

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,2-diethyl-6-methoxy-3,4-dihydrochromen-4-amine?
The IUPAC name of N-butyl-2,2-diethyl-6-methoxy-3,4-dihydrochromen-4-amine (CID 82462581) is N-butyl-2,2-diethyl-6-methoxy-3,4-dihydrochromen-4-amine.
What is the SMILES notation for N-butyl-2,2-diethyl-6-methoxy-3,4-dihydrochromen-4-amine?
The canonical SMILES for N-butyl-2,2-diethyl-6-methoxy-3,4-dihydrochromen-4-amine is CCCCNC1CC(CC)(CC)Oc2ccc(OC)cc21.
What is the InChIKey of N-butyl-2,2-diethyl-6-methoxy-3,4-dihydrochromen-4-amine?
The InChIKey is NRIOLXDNSUDMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-8-11-19-16-13-18(6-2,7-3)21-17-10-9-14(20-4)12-15(16)17/h9-10,12,16,19H,5-8,11,13H2,1-4H3.
What are the key properties of N-butyl-2,2-diethyl-6-methoxy-3,4-dihydrochromen-4-amine?
N-butyl-2,2-diethyl-6-methoxy-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 N-butyl-2,2-diethyl-6-methoxy-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 82462581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).