2-(4-ethenylphenyl)-N,N-diethylethanamine;styrene

C22H29N — CID 159854693

IUPAC2-(4-ethenylphenyl)-N,N-diethylethanamine;styrene
SMILESC=Cc1ccc(CCN(CC)CC)cc1.C=Cc1ccccc1
InChIInChI=1S/C14H21N.C8H8/c1-4-13-7-9-14(10-8-13)11-12-15(5-2)6-3;1-2-8-6-4-3-5-7-8/h4,7-10H,1,5-6,11-12H2,2-3H3;2-7H,1H2
InChIKeyNQJKYBQDWDWOBI-UHFFFAOYSA-N
MW307.48 g/mol
LogP5.54
Rot. Bonds7

About 2-(4-ethenylphenyl)-N,N-diethylethanamine;styrene

2-(4-ethenylphenyl)-N,N-diethylethanamine;styrene (PubChem CID 159854693) has the molecular formula C22H29N and a molecular weight of 307.48 g/mol. Its IUPAC name is 2-(4-ethenylphenyl)-N,N-diethylethanamine;styrene.

Molecular Properties

Compound Name2-(4-ethenylphenyl)-N,N-diethylethanamine;styrene
PubChem CID159854693
Molecular FormulaC22H29N
Molecular Weight307.48 g/mol
Exact Mass307.23
IUPAC Name2-(4-ethenylphenyl)-N,N-diethylethanamine;styrene
SMILESC=Cc1ccc(CCN(CC)CC)cc1.C=Cc1ccccc1
InChIInChI=1S/C14H21N.C8H8/c1-4-13-7-9-14(10-8-13)11-12-15(5-2)6-3;1-2-8-6-4-3-5-7-8/h4,7-10H,1,5-6,11-12H2,2-3H3;2-7H,1H2
InChIKeyNQJKYBQDWDWOBI-UHFFFAOYSA-N
XLogP5.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.48
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-ethenylphenyl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 139721911
N-(4-ethenylphenyl)-4-[2-[4-(N-(4-ethenylphenyl)anilino)phenyl]ethyl]-N-phenylaniline
CID 89417368
benzene;ethane;styrene
CID 21219610
1-ethenyl-4-(5-phenylpentyl)benzene
CID 151483185
N-[2-(3-ethenylphenyl)ethyl]-N-propylpropan-1-amine
CID 66742904
N-ethyl-N-propan-2-ylpropan-2-amine;styrene
CID 66882584
ethylbenzene;methane;styrene;hydrate
CID 169425917
N,N-diethyl-3-phenylpropan-1-amine;hydrate
CID 172794416
4-[2-(diethylamino)ethyl]-N-(3-phenylpropyl)aniline
CID 83963050
4-[2-[benzyl(ethyl)amino]ethyl]phenol
CID 82187934
chloromethane;styrene
CID 122701035
CID 57450570
CID 57450570

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenylphenyl)-N,N-diethylethanamine;styrene?
The IUPAC name of 2-(4-ethenylphenyl)-N,N-diethylethanamine;styrene (CID 159854693) is 2-(4-ethenylphenyl)-N,N-diethylethanamine;styrene.
What is the SMILES notation for 2-(4-ethenylphenyl)-N,N-diethylethanamine;styrene?
The canonical SMILES for 2-(4-ethenylphenyl)-N,N-diethylethanamine;styrene is C=Cc1ccc(CCN(CC)CC)cc1.C=Cc1ccccc1.
What is the InChIKey of 2-(4-ethenylphenyl)-N,N-diethylethanamine;styrene?
The InChIKey is NQJKYBQDWDWOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N.C8H8/c1-4-13-7-9-14(10-8-13)11-12-15(5-2)6-3;1-2-8-6-4-3-5-7-8/h4,7-10H,1,5-6,11-12H2,2-3H3;2-7H,1H2.
What are the key properties of 2-(4-ethenylphenyl)-N,N-diethylethanamine;styrene?
2-(4-ethenylphenyl)-N,N-diethylethanamine;styrene has a molecular weight of 307.48 g/mol, XLogP of 5.54, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenylphenyl)-N,N-diethylethanamine;styrene is sourced from PubChem (CID 159854693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).