N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethylcyclobutan-1-amine

C16H23NO — CID 115907993

IUPACN-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethylcyclobutan-1-amine
SMILESCCC1(NCC2CCOc3ccccc32)CCC1
InChIInChI=1S/C16H23NO/c1-2-16(9-5-10-16)17-12-13-8-11-18-15-7-4-3-6-14(13)15/h3-4,6-7,13,17H,2,5,8-12H2,1H3
InChIKeyJVDPNHRIHDKCMB-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.47
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethylcyclobutan-1-amine

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethylcyclobutan-1-amine (PubChem CID 115907993) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethylcyclobutan-1-amine
PubChem CID115907993
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethylcyclobutan-1-amine
SMILESCCC1(NCC2CCOc3ccccc32)CCC1
InChIInChI=1S/C16H23NO/c1-2-16(9-5-10-16)17-12-13-8-11-18-15-7-4-3-6-14(13)15/h3-4,6-7,13,17H,2,5,8-12H2,1H3
InChIKeyJVDPNHRIHDKCMB-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3,4-dihydro-2H-chromen-4-ylmethylamino)cyclopentyl]methanol
CID 115924343
1-(chloromethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylcyclohexan-1-amine
CID 104771386
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-ethylbutan-1-amine
CID 115756745
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dimethylhydrazine
CID 104768421
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,3-dimethylcyclohexan-1-amine
CID 104768402
N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylcyclobutan-1-amine
CID 113320280
2-(3,4-dihydro-2H-chromen-4-ylmethylamino)acetamide
CID 104768242
1-(3,4-dihydro-2H-chromen-4-yl)-3-(ethylamino)-2-methylpropan-2-ol
CID 113451561

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethylcyclobutan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethylcyclobutan-1-amine (CID 115907993) is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethylcyclobutan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethylcyclobutan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethylcyclobutan-1-amine is CCC1(NCC2CCOc3ccccc32)CCC1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethylcyclobutan-1-amine?
The InChIKey is JVDPNHRIHDKCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-16(9-5-10-16)17-12-13-8-11-18-15-7-4-3-6-14(13)15/h3-4,6-7,13,17H,2,5,8-12H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethylcyclobutan-1-amine?
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethylcyclobutan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethylcyclobutan-1-amine is sourced from PubChem (CID 115907993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).