4-(3,4-dihydro-2H-chromen-6-yl)-N-ethyl-2,2-dimethylbutan-1-amine

C17H27NO — CID 65306110

IUPAC4-(3,4-dihydro-2H-chromen-6-yl)-N-ethyl-2,2-dimethylbutan-1-amine
SMILESCCNCC(C)(C)CCc1ccc2c(c1)CCCO2
InChIInChI=1S/C17H27NO/c1-4-18-13-17(2,3)10-9-14-7-8-16-15(12-14)6-5-11-19-16/h7-8,12,18H,4-6,9-11,13H2,1-3H3
InChIKeyCFLLGMQGRHBGEL-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.58
Rot. Bonds6

About 4-(3,4-dihydro-2H-chromen-6-yl)-N-ethyl-2,2-dimethylbutan-1-amine

4-(3,4-dihydro-2H-chromen-6-yl)-N-ethyl-2,2-dimethylbutan-1-amine (PubChem CID 65306110) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-chromen-6-yl)-N-ethyl-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-chromen-6-yl)-N-ethyl-2,2-dimethylbutan-1-amine
PubChem CID65306110
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-(3,4-dihydro-2H-chromen-6-yl)-N-ethyl-2,2-dimethylbutan-1-amine
SMILESCCNCC(C)(C)CCc1ccc2c(c1)CCCO2
InChIInChI=1S/C17H27NO/c1-4-18-13-17(2,3)10-9-14-7-8-16-15(12-14)6-5-11-19-16/h7-8,12,18H,4-6,9-11,13H2,1-3H3
InChIKeyCFLLGMQGRHBGEL-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 65309028
N-tert-butyl-4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutan-1-amine
CID 65308355
6-(3,4-dihydro-2H-chromen-6-yl)-N-ethylhexan-1-amine
CID 65306061
5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-4,4-dimethylpentan-1-ol
CID 106147353
N-tert-butyl-5-(2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylpentan-1-amine
CID 65304245
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine
CID 65446095
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
CID 65308436
6-(2,3-dihydro-1-benzofuran-5-yl)-4,4-dimethylhexan-2-ol
CID 65442461
2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]ethanol
CID 96659085
4-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylaniline
CID 116926125
N-ethyl-2,2-dimethyl-4-(4-methylphenyl)butan-1-amine
CID 65308675
2-(3,4-dihydro-2H-chromen-6-yl)-N-(hydrazinylmethyl)ethanamine
CID 115261148

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-chromen-6-yl)-N-ethyl-2,2-dimethylbutan-1-amine?
The IUPAC name of 4-(3,4-dihydro-2H-chromen-6-yl)-N-ethyl-2,2-dimethylbutan-1-amine (CID 65306110) is 4-(3,4-dihydro-2H-chromen-6-yl)-N-ethyl-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 4-(3,4-dihydro-2H-chromen-6-yl)-N-ethyl-2,2-dimethylbutan-1-amine?
The canonical SMILES for 4-(3,4-dihydro-2H-chromen-6-yl)-N-ethyl-2,2-dimethylbutan-1-amine is CCNCC(C)(C)CCc1ccc2c(c1)CCCO2.
What is the InChIKey of 4-(3,4-dihydro-2H-chromen-6-yl)-N-ethyl-2,2-dimethylbutan-1-amine?
The InChIKey is CFLLGMQGRHBGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-18-13-17(2,3)10-9-14-7-8-16-15(12-14)6-5-11-19-16/h7-8,12,18H,4-6,9-11,13H2,1-3H3.
What are the key properties of 4-(3,4-dihydro-2H-chromen-6-yl)-N-ethyl-2,2-dimethylbutan-1-amine?
4-(3,4-dihydro-2H-chromen-6-yl)-N-ethyl-2,2-dimethylbutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-chromen-6-yl)-N-ethyl-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 65306110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).