ethane;2-[2-(4-ethenylphenyl)ethylamino]-1-phenylethanol

C20H27NO — CID 144821977

IUPACethane;2-[2-(4-ethenylphenyl)ethylamino]-1-phenylethanol
SMILESC=Cc1ccc(CCNCC(O)c2ccccc2)cc1.CC
InChIInChI=1S/C18H21NO.C2H6/c1-2-15-8-10-16(11-9-15)12-13-19-14-18(20)17-6-4-3-5-7-17;1-2/h2-11,18-20H,1,12-14H2;1-2H3
InChIKeyYIDDOSFKRJEQLJ-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.22
Rot. Bonds7

About ethane;2-[2-(4-ethenylphenyl)ethylamino]-1-phenylethanol

ethane;2-[2-(4-ethenylphenyl)ethylamino]-1-phenylethanol (PubChem CID 144821977) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is ethane;2-[2-(4-ethenylphenyl)ethylamino]-1-phenylethanol.

Molecular Properties

Compound Nameethane;2-[2-(4-ethenylphenyl)ethylamino]-1-phenylethanol
PubChem CID144821977
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Nameethane;2-[2-(4-ethenylphenyl)ethylamino]-1-phenylethanol
SMILESC=Cc1ccc(CCNCC(O)c2ccccc2)cc1.CC
InChIInChI=1S/C18H21NO.C2H6/c1-2-15-8-10-16(11-9-15)12-13-19-14-18(20)17-6-4-3-5-7-17;1-2/h2-11,18-20H,1,12-14H2;1-2H3
InChIKeyYIDDOSFKRJEQLJ-UHFFFAOYSA-N
XLogP4.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol
CID 112501683
methyl 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetate
CID 54411286
2-ethenyl-4-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]benzoic acid
CID 69102762
(2R)-2-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenoxy]propanoic acid
CID 67001965
2-(4-ethenylphenyl)-N-ethylethanamine
CID 20507043
N-[2-(4-ethenylphenyl)ethyl]propan-1-amine;toluene
CID 70548327
2-(4-chlorophenyl)-N-[2-(4-ethenylphenyl)ethyl]propan-1-amine
CID 144821853
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
5-[[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]anilino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168537250
2-(2-phenylethylamino)-1-pyridin-3-ylethanol
CID 20826867
(1R)-2-[2-(3-chloro-4-methoxyphenyl)ethylamino]-1-phenylethanol
CID 7319732
4-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-2-prop-2-enoxybenzoic acid;hydrochloride
CID 69058621

Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-(4-ethenylphenyl)ethylamino]-1-phenylethanol?
The IUPAC name of ethane;2-[2-(4-ethenylphenyl)ethylamino]-1-phenylethanol (CID 144821977) is ethane;2-[2-(4-ethenylphenyl)ethylamino]-1-phenylethanol.
What is the SMILES notation for ethane;2-[2-(4-ethenylphenyl)ethylamino]-1-phenylethanol?
The canonical SMILES for ethane;2-[2-(4-ethenylphenyl)ethylamino]-1-phenylethanol is C=Cc1ccc(CCNCC(O)c2ccccc2)cc1.CC.
What is the InChIKey of ethane;2-[2-(4-ethenylphenyl)ethylamino]-1-phenylethanol?
The InChIKey is YIDDOSFKRJEQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO.C2H6/c1-2-15-8-10-16(11-9-15)12-13-19-14-18(20)17-6-4-3-5-7-17;1-2/h2-11,18-20H,1,12-14H2;1-2H3.
What are the key properties of ethane;2-[2-(4-ethenylphenyl)ethylamino]-1-phenylethanol?
ethane;2-[2-(4-ethenylphenyl)ethylamino]-1-phenylethanol has a molecular weight of 297.44 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-(4-ethenylphenyl)ethylamino]-1-phenylethanol is sourced from PubChem (CID 144821977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).