N-benzylethanamine;2-phenyl-3,4-dihydro-2H-chromene

C24H27NO — CID 66899013

IUPACN-benzylethanamine;2-phenyl-3,4-dihydro-2H-chromene
SMILESCCNCc1ccccc1.c1ccc(C2CCc3ccccc3O2)cc1
InChIInChI=1S/C15H14O.C9H13N/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-2-10-8-9-6-4-3-5-7-9/h1-9,15H,10-11H2;3-7,10H,2,8H2,1H3
InChIKeyFCTVOVNDMQXWCW-UHFFFAOYSA-N
MW345.49 g/mol
LogP5.55
Rot. Bonds4

About N-benzylethanamine;2-phenyl-3,4-dihydro-2H-chromene

N-benzylethanamine;2-phenyl-3,4-dihydro-2H-chromene (PubChem CID 66899013) has the molecular formula C24H27NO and a molecular weight of 345.49 g/mol. Its IUPAC name is N-benzylethanamine;2-phenyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound NameN-benzylethanamine;2-phenyl-3,4-dihydro-2H-chromene
PubChem CID66899013
Molecular FormulaC24H27NO
Molecular Weight345.49 g/mol
Exact Mass345.21
IUPAC NameN-benzylethanamine;2-phenyl-3,4-dihydro-2H-chromene
SMILESCCNCc1ccccc1.c1ccc(C2CCc3ccccc3O2)cc1
InChIInChI=1S/C15H14O.C9H13N/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-2-10-8-9-6-4-3-5-7-9/h1-9,15H,10-11H2;3-7,10H,2,8H2,1H3
InChIKeyFCTVOVNDMQXWCW-UHFFFAOYSA-N
XLogP5.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-3,4-dihydro-2H-chromene
CID 157336431
calcium;carbonic acid;hydride;2-phenyl-3,4-dihydro-2H-chromene
CID 175471981
N-benzylethanamine;tris(yttrium)
CID 158198357
4-(3,4-dihydro-2H-chromen-2-yl)-1-oxidopyridin-1-ium
CID 57215409
6-ethyl-2-phenyl-3,4-dihydro-2H-chromen-7-ol
CID 151096967
2-phenyl-3,4-dihydro-2H-chromen-6-ol;zinc
CID 160688399
6-chloro-2-phenyl-3,4-dihydro-2H-chromene
CID 13250352
N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 19063201
7-methyl-2-phenyl-3,4-dihydro-2H-chromen-6-ol
CID 134989904
benzene;2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde;ethanol
CID 142231638
N-benzylethanamine;trimethylsilane
CID 173401135
N-[[4-(2-phenylethyl)phenyl]methyl]ethanamine
CID 70892466

Frequently Asked Questions

What is the IUPAC name of N-benzylethanamine;2-phenyl-3,4-dihydro-2H-chromene?
The IUPAC name of N-benzylethanamine;2-phenyl-3,4-dihydro-2H-chromene (CID 66899013) is N-benzylethanamine;2-phenyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for N-benzylethanamine;2-phenyl-3,4-dihydro-2H-chromene?
The canonical SMILES for N-benzylethanamine;2-phenyl-3,4-dihydro-2H-chromene is CCNCc1ccccc1.c1ccc(C2CCc3ccccc3O2)cc1.
What is the InChIKey of N-benzylethanamine;2-phenyl-3,4-dihydro-2H-chromene?
The InChIKey is FCTVOVNDMQXWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O.C9H13N/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-2-10-8-9-6-4-3-5-7-9/h1-9,15H,10-11H2;3-7,10H,2,8H2,1H3.
What are the key properties of N-benzylethanamine;2-phenyl-3,4-dihydro-2H-chromene?
N-benzylethanamine;2-phenyl-3,4-dihydro-2H-chromene has a molecular weight of 345.49 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylethanamine;2-phenyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 66899013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).