N,2,2-triethyl-6-propan-2-yloxy-3,4-dihydrochromen-4-amine

C18H29NO2 — CID 82462595

IUPACN,2,2-triethyl-6-propan-2-yloxy-3,4-dihydrochromen-4-amine
SMILESCCNC1CC(CC)(CC)Oc2ccc(OC(C)C)cc21
InChIInChI=1S/C18H29NO2/c1-6-18(7-2)12-16(19-8-3)15-11-14(20-13(4)5)9-10-17(15)21-18/h9-11,13,16,19H,6-8,12H2,1-5H3
InChIKeyXVVUAJVNIVWBQC-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.47
Rot. Bonds6

About N,2,2-triethyl-6-propan-2-yloxy-3,4-dihydrochromen-4-amine

N,2,2-triethyl-6-propan-2-yloxy-3,4-dihydrochromen-4-amine (PubChem CID 82462595) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N,2,2-triethyl-6-propan-2-yloxy-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound NameN,2,2-triethyl-6-propan-2-yloxy-3,4-dihydrochromen-4-amine
PubChem CID82462595
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN,2,2-triethyl-6-propan-2-yloxy-3,4-dihydrochromen-4-amine
SMILESCCNC1CC(CC)(CC)Oc2ccc(OC(C)C)cc21
InChIInChI=1S/C18H29NO2/c1-6-18(7-2)12-16(19-8-3)15-11-14(20-13(4)5)9-10-17(15)21-18/h9-11,13,16,19H,6-8,12H2,1-5H3
InChIKeyXVVUAJVNIVWBQC-UHFFFAOYSA-N
XLogP4.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

7-butan-2-yloxy-N,2,2-triethyl-3,4-dihydrochromen-4-amine
CID 82462571
N-butyl-2,2-diethyl-6-methoxy-3,4-dihydrochromen-4-amine
CID 82462581
2,2-diethyl-6-methoxy-N-methyl-3,4-dihydrochromen-4-amine
CID 82462579
2,2-diethyl-6-methyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 82462475
6-bromo-N,2-diethyl-2-(methoxymethyl)-3,4-dihydrochromen-4-amine
CID 114713433
6-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 82462351
2-ethyl-6-methoxy-2-(methoxymethyl)-N-propyl-3,4-dihydrochromen-4-amine
CID 114713126
N-ethyl-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 114868375
(2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(3,4-dimethylphenoxy)propanamide
CID 100694409
N,2-diethyl-2-methyl-7-(2-methylpropoxy)-3,4-dihydrochromen-4-amine
CID 82462320
7-butan-2-yloxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462770
6-methoxy-N-methyl-2,2-dipropyl-3,4-dihydrochromen-4-amine
CID 114712983

Frequently Asked Questions

What is the IUPAC name of N,2,2-triethyl-6-propan-2-yloxy-3,4-dihydrochromen-4-amine?
The IUPAC name of N,2,2-triethyl-6-propan-2-yloxy-3,4-dihydrochromen-4-amine (CID 82462595) is N,2,2-triethyl-6-propan-2-yloxy-3,4-dihydrochromen-4-amine.
What is the SMILES notation for N,2,2-triethyl-6-propan-2-yloxy-3,4-dihydrochromen-4-amine?
The canonical SMILES for N,2,2-triethyl-6-propan-2-yloxy-3,4-dihydrochromen-4-amine is CCNC1CC(CC)(CC)Oc2ccc(OC(C)C)cc21.
What is the InChIKey of N,2,2-triethyl-6-propan-2-yloxy-3,4-dihydrochromen-4-amine?
The InChIKey is XVVUAJVNIVWBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-6-18(7-2)12-16(19-8-3)15-11-14(20-13(4)5)9-10-17(15)21-18/h9-11,13,16,19H,6-8,12H2,1-5H3.
What are the key properties of N,2,2-triethyl-6-propan-2-yloxy-3,4-dihydrochromen-4-amine?
N,2,2-triethyl-6-propan-2-yloxy-3,4-dihydrochromen-4-amine has a molecular weight of 291.44 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-triethyl-6-propan-2-yloxy-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 82462595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).