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

C17H25NO — CID 114712231

IUPAC2-(cyclobutylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine
SMILESCCNC1CC(C)(CC2CCC2)Oc2ccccc21
InChIInChI=1S/C17H25NO/c1-3-18-15-12-17(2,11-13-7-6-8-13)19-16-10-5-4-9-14(15)16/h4-5,9-10,13,15,18H,3,6-8,11-12H2,1-2H3
InChIKeyNSLLNUPTNYLGCF-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.07
Rot. Bonds4

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

2-(cyclobutylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine (PubChem CID 114712231) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine
PubChem CID114712231
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-(cyclobutylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine
SMILESCCNC1CC(C)(CC2CCC2)Oc2ccccc21
InChIInChI=1S/C17H25NO/c1-3-18-15-12-17(2,11-13-7-6-8-13)19-16-10-5-4-9-14(15)16/h4-5,9-10,13,15,18H,3,6-8,11-12H2,1-2H3
InChIKeyNSLLNUPTNYLGCF-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 114712262
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',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114712158
N-ethyl-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114712239
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
2-(cyclobutylmethyl)-7-methoxy-N,2-dimethyl-3,4-dihydrochromen-4-amine
CID 114710888
2-(cyclobutylmethyl)-6-methoxy-N,2-dimethyl-3,4-dihydrochromen-4-amine
CID 114712937
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
2-(cyclobutylmethyl)-2-methyl-3H-chromen-4-one
CID 114671506

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 2-(cyclobutylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine (CID 114712231) is 2-(cyclobutylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2-(cyclobutylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2-(cyclobutylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine is CCNC1CC(C)(CC2CCC2)Oc2ccccc21.
What is the InChIKey of 2-(cyclobutylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine?
The InChIKey is NSLLNUPTNYLGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-18-15-12-17(2,11-13-7-6-8-13)19-16-10-5-4-9-14(15)16/h4-5,9-10,13,15,18H,3,6-8,11-12H2,1-2H3.
What are the key properties of 2-(cyclobutylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine?
2-(cyclobutylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine has a molecular weight of 259.39 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-N-ethyl-2-methyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 114712231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).