2-(cyclopropylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine

C16H23NO — CID 114712262

IUPAC2-(cyclopropylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine
SMILESCCNC1CC(C)(CC2CC2)Oc2ccccc21
InChIInChI=1S/C16H23NO/c1-3-17-14-11-16(2,10-12-8-9-12)18-15-7-5-4-6-13(14)15/h4-7,12,14,17H,3,8-11H2,1-2H3
InChIKeyWVEDABQHECFDGD-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.68
Rot. Bonds4

About 2-(cyclopropylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine

2-(cyclopropylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine (PubChem CID 114712262) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine
PubChem CID114712262
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-(cyclopropylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine
SMILESCCNC1CC(C)(CC2CC2)Oc2ccccc21
InChIInChI=1S/C16H23NO/c1-3-17-14-11-16(2,10-12-8-9-12)18-15-7-5-4-6-13(14)15/h4-7,12,14,17H,3,8-11H2,1-2H3
InChIKeyWVEDABQHECFDGD-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclobutylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 114712231
2-(cyclopropylmethyl)-2-methyl-N-propyl-3,4-dihydrochromen-4-amine
CID 114712415
(4S)-2-(cyclobutylmethyl)-2-methyl-3,4-dihydrochromen-4-amine
CID 104945926
N-ethyl-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114712239
N-ethyl-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114712158
2-ethyl-N,2-dimethyl-3,4-dihydrochromen-4-amine
CID 82462113
2-ethyl-2-methyl-N-pentyl-3,4-dihydrochromen-4-amine
CID 82462123
N-ethyl-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 114868375
N-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82462120
1'-cyclopropyl-N-ethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 114712252
N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 114712287
(11S)-N-ethyl-9-methyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine
CID 70549686

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 2-(cyclopropylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine (CID 114712262) is 2-(cyclopropylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2-(cyclopropylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2-(cyclopropylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine is CCNC1CC(C)(CC2CC2)Oc2ccccc21.
What is the InChIKey of 2-(cyclopropylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine?
The InChIKey is WVEDABQHECFDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-17-14-11-16(2,10-12-8-9-12)18-15-7-5-4-6-13(14)15/h4-7,12,14,17H,3,8-11H2,1-2H3.
What are the key properties of 2-(cyclopropylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine?
2-(cyclopropylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine has a molecular weight of 245.37 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 114712262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).