2-ethyl-2-methyl-N-(2-methylpropyl)-7-propoxy-3,4-dihydrochromen-4-amine

C19H31NO2 — CID 82462306

IUPAC2-ethyl-2-methyl-N-(2-methylpropyl)-7-propoxy-3,4-dihydrochromen-4-amine
SMILESCCCOc1ccc2c(c1)OC(C)(CC)CC2NCC(C)C
InChIInChI=1S/C19H31NO2/c1-6-10-21-15-8-9-16-17(20-13-14(3)4)12-19(5,7-2)22-18(16)11-15/h8-9,11,14,17,20H,6-7,10,12-13H2,1-5H3
InChIKeyKVPOCLWAXDGPSN-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.71
Rot. Bonds7

About 2-ethyl-2-methyl-N-(2-methylpropyl)-7-propoxy-3,4-dihydrochromen-4-amine

2-ethyl-2-methyl-N-(2-methylpropyl)-7-propoxy-3,4-dihydrochromen-4-amine (PubChem CID 82462306) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 2-ethyl-2-methyl-N-(2-methylpropyl)-7-propoxy-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2-ethyl-2-methyl-N-(2-methylpropyl)-7-propoxy-3,4-dihydrochromen-4-amine
PubChem CID82462306
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name2-ethyl-2-methyl-N-(2-methylpropyl)-7-propoxy-3,4-dihydrochromen-4-amine
SMILESCCCOc1ccc2c(c1)OC(C)(CC)CC2NCC(C)C
InChIInChI=1S/C19H31NO2/c1-6-10-21-15-8-9-16-17(20-13-14(3)4)12-19(5,7-2)22-18(16)11-15/h8-9,11,14,17,20H,6-7,10,12-13H2,1-5H3
InChIKeyKVPOCLWAXDGPSN-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 82462317
N,2-diethyl-2-methyl-7-(2-methylpropoxy)-3,4-dihydrochromen-4-amine
CID 82462320
2-ethyl-2-methyl-N-(2-methylpropyl)-5-propoxy-3,4-dihydrochromen-4-amine
CID 82462380
6-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 82462351
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
N-butyl-2,2-dimethyl-6-propoxy-3,4-dihydrochromen-4-amine
CID 82461986
7-(methoxymethoxy)-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 65365816
N-methyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63095165
2-ethyl-2-methyl-N-pentyl-3,4-dihydrochromen-4-amine
CID 82462123
7-but-2-ynoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 62311714

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-N-(2-methylpropyl)-7-propoxy-3,4-dihydrochromen-4-amine?
The IUPAC name of 2-ethyl-2-methyl-N-(2-methylpropyl)-7-propoxy-3,4-dihydrochromen-4-amine (CID 82462306) is 2-ethyl-2-methyl-N-(2-methylpropyl)-7-propoxy-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2-ethyl-2-methyl-N-(2-methylpropyl)-7-propoxy-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2-ethyl-2-methyl-N-(2-methylpropyl)-7-propoxy-3,4-dihydrochromen-4-amine is CCCOc1ccc2c(c1)OC(C)(CC)CC2NCC(C)C.
What is the InChIKey of 2-ethyl-2-methyl-N-(2-methylpropyl)-7-propoxy-3,4-dihydrochromen-4-amine?
The InChIKey is KVPOCLWAXDGPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-6-10-21-15-8-9-16-17(20-13-14(3)4)12-19(5,7-2)22-18(16)11-15/h8-9,11,14,17,20H,6-7,10,12-13H2,1-5H3.
What are the key properties of 2-ethyl-2-methyl-N-(2-methylpropyl)-7-propoxy-3,4-dihydrochromen-4-amine?
2-ethyl-2-methyl-N-(2-methylpropyl)-7-propoxy-3,4-dihydrochromen-4-amine has a molecular weight of 305.46 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-N-(2-methylpropyl)-7-propoxy-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 82462306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).