N-ethyl-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine

C19H31NO — CID 114868375

IUPACN-ethyl-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine
SMILESCCNC1CC(CC(C)C)(CC(C)C)Oc2ccccc21
InChIInChI=1S/C19H31NO/c1-6-20-17-13-19(11-14(2)3,12-15(4)5)21-18-10-8-7-9-16(17)18/h7-10,14-15,17,20H,6,11-13H2,1-5H3
InChIKeyKAPQADTXORLYNK-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.95
Rot. Bonds6

About N-ethyl-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine

N-ethyl-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine (PubChem CID 114868375) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-ethyl-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound NameN-ethyl-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine
PubChem CID114868375
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-ethyl-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine
SMILESCCNC1CC(CC(C)C)(CC(C)C)Oc2ccccc21
InChIInChI=1S/C19H31NO/c1-6-20-17-13-19(11-14(2)3,12-15(4)5)21-18-10-8-7-9-16(17)18/h7-10,14-15,17,20H,6,11-13H2,1-5H3
InChIKeyKAPQADTXORLYNK-UHFFFAOYSA-N
XLogP4.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-ol
CID 104980282
N,2,2-tripropyl-3,4-dihydrochromen-4-amine
CID 114712437
2-(cyclopropylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 114712262
2,2-diethyl-N-pentyl-3,4-dihydrochromen-4-amine
CID 82462447
N-ethyl-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114712239
7-butan-2-yloxy-N,2,2-triethyl-3,4-dihydrochromen-4-amine
CID 82462571
1'-cyclopropyl-N-ethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 114712252
7-bromo-N-ethyl-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 114711811
N,2,2-triethyl-6-propan-2-yloxy-3,4-dihydrochromen-4-amine
CID 82462595
2-(cyclobutylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 114712231
N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 114712287
N-ethyl-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114712158

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine?
The IUPAC name of N-ethyl-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine (CID 114868375) is N-ethyl-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine.
What is the SMILES notation for N-ethyl-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine?
The canonical SMILES for N-ethyl-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine is CCNC1CC(CC(C)C)(CC(C)C)Oc2ccccc21.
What is the InChIKey of N-ethyl-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine?
The InChIKey is KAPQADTXORLYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-6-20-17-13-19(11-14(2)3,12-15(4)5)21-18-10-8-7-9-16(17)18/h7-10,14-15,17,20H,6,11-13H2,1-5H3.
What are the key properties of N-ethyl-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine?
N-ethyl-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine has a molecular weight of 289.46 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 114868375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).