7-butan-2-yloxy-N,2,2-triethyl-3,4-dihydrochromen-4-amine

C19H31NO2 — CID 82462571

IUPAC7-butan-2-yloxy-N,2,2-triethyl-3,4-dihydrochromen-4-amine
SMILESCCNC1CC(CC)(CC)Oc2cc(OC(C)CC)ccc21
InChIInChI=1S/C19H31NO2/c1-6-14(5)21-15-10-11-16-17(20-9-4)13-19(7-2,8-3)22-18(16)12-15/h10-12,14,17,20H,6-9,13H2,1-5H3
InChIKeyWLAAKWVWANZVDF-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.86
Rot. Bonds7

About 7-butan-2-yloxy-N,2,2-triethyl-3,4-dihydrochromen-4-amine

7-butan-2-yloxy-N,2,2-triethyl-3,4-dihydrochromen-4-amine (PubChem CID 82462571) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 7-butan-2-yloxy-N,2,2-triethyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name7-butan-2-yloxy-N,2,2-triethyl-3,4-dihydrochromen-4-amine
PubChem CID82462571
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name7-butan-2-yloxy-N,2,2-triethyl-3,4-dihydrochromen-4-amine
SMILESCCNC1CC(CC)(CC)Oc2cc(OC(C)CC)ccc21
InChIInChI=1S/C19H31NO2/c1-6-14(5)21-15-10-11-16-17(20-9-4)13-19(7-2,8-3)22-18(16)12-15/h10-12,14,17,20H,6-9,13H2,1-5H3
InChIKeyWLAAKWVWANZVDF-UHFFFAOYSA-N
XLogP4.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-butan-2-yloxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462770
N,2,2-triethyl-6-propan-2-yloxy-3,4-dihydrochromen-4-amine
CID 82462595
N,2-diethyl-2-methyl-7-(2-methylpropoxy)-3,4-dihydrochromen-4-amine
CID 82462320
7-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 82462317
N-ethyl-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 114868375
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-bromo-2-butyl-N,2-diethyl-3,4-dihydrochromen-4-amine
CID 114711775
2-ethyl-2-methyl-N-(2-methylpropyl)-7-propoxy-3,4-dihydrochromen-4-amine
CID 82462306
N-ethyl-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114711043
(2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(3,4-dimethylphenoxy)propanamide
CID 100694409
2,2-diethyl-6-methyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 82462475

Frequently Asked Questions

What is the IUPAC name of 7-butan-2-yloxy-N,2,2-triethyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 7-butan-2-yloxy-N,2,2-triethyl-3,4-dihydrochromen-4-amine (CID 82462571) is 7-butan-2-yloxy-N,2,2-triethyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 7-butan-2-yloxy-N,2,2-triethyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 7-butan-2-yloxy-N,2,2-triethyl-3,4-dihydrochromen-4-amine is CCNC1CC(CC)(CC)Oc2cc(OC(C)CC)ccc21.
What is the InChIKey of 7-butan-2-yloxy-N,2,2-triethyl-3,4-dihydrochromen-4-amine?
The InChIKey is WLAAKWVWANZVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-6-14(5)21-15-10-11-16-17(20-9-4)13-19(7-2,8-3)22-18(16)12-15/h10-12,14,17,20H,6-9,13H2,1-5H3.
What are the key properties of 7-butan-2-yloxy-N,2,2-triethyl-3,4-dihydrochromen-4-amine?
7-butan-2-yloxy-N,2,2-triethyl-3,4-dihydrochromen-4-amine has a molecular weight of 305.46 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butan-2-yloxy-N,2,2-triethyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 82462571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).