N,N-dimethyl-3-[4-[(E)-2-phenylethenyl]phenyl]propan-1-amine

C19H23N — CID 170865314

IUPACN,N-dimethyl-3-[4-[(E)-2-phenylethenyl]phenyl]propan-1-amine
SMILESCN(C)CCCc1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C19H23N/c1-20(2)16-6-9-18-11-14-19(15-12-18)13-10-17-7-4-3-5-8-17/h3-5,7-8,10-15H,6,9,16H2,1-2H3/b13-10+
InChIKeyDLFDWCIXAIEMST-JLHYYAGUSA-N
MW265.40 g/mol
LogP4.35
Rot. Bonds6

About N,N-dimethyl-3-[4-[(E)-2-phenylethenyl]phenyl]propan-1-amine

N,N-dimethyl-3-[4-[(E)-2-phenylethenyl]phenyl]propan-1-amine (PubChem CID 170865314) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-[(E)-2-phenylethenyl]phenyl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-[(E)-2-phenylethenyl]phenyl]propan-1-amine
PubChem CID170865314
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC NameN,N-dimethyl-3-[4-[(E)-2-phenylethenyl]phenyl]propan-1-amine
SMILESCN(C)CCCc1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C19H23N/c1-20(2)16-6-9-18-11-14-19(15-12-18)13-10-17-7-4-3-5-8-17/h3-5,7-8,10-15H,6,9,16H2,1-2H3/b13-10+
InChIKeyDLFDWCIXAIEMST-JLHYYAGUSA-N
XLogP4.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-4-[(E)-2-phenylethenyl]benzene
CID 100931442
4-butyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-butylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 22900144
N,N-dimethyl-9-phenylnonan-1-amine;2-phenylethenesulfonic acid
CID 173333887
N,N-dimethyl-18-phenyloctadecan-1-amine;hydrochloride
CID 173450545
N,N-dimethyl-9-phenylnonan-1-amine;hydrochloride
CID 173027256
N,N-dimethyl-7-phenylheptan-1-amine;hydrate
CID 173447731
4-pentyl-N,N-bis[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]aniline
CID 134259379
N,N-diphenyl-4-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethyl]aniline
CID 76639574
17-(4-ethenylphenyl)-N,N-dimethylheptadecan-1-amine
CID 178066852
4-hexyl-N,N-bis[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline
CID 76558986
3-(4-benzylsulfanylphenyl)-N,N-dimethylpropan-1-amine
CID 20573271
2-methyl-6-[4-(2-phenylethenyl)phenyl]hexan-2-ol
CID 57130205

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-[(E)-2-phenylethenyl]phenyl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[4-[(E)-2-phenylethenyl]phenyl]propan-1-amine (CID 170865314) is N,N-dimethyl-3-[4-[(E)-2-phenylethenyl]phenyl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[4-[(E)-2-phenylethenyl]phenyl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[4-[(E)-2-phenylethenyl]phenyl]propan-1-amine is CN(C)CCCc1ccc(/C=C/c2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-3-[4-[(E)-2-phenylethenyl]phenyl]propan-1-amine?
The InChIKey is DLFDWCIXAIEMST-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H23N/c1-20(2)16-6-9-18-11-14-19(15-12-18)13-10-17-7-4-3-5-8-17/h3-5,7-8,10-15H,6,9,16H2,1-2H3/b13-10+.
What are the key properties of N,N-dimethyl-3-[4-[(E)-2-phenylethenyl]phenyl]propan-1-amine?
N,N-dimethyl-3-[4-[(E)-2-phenylethenyl]phenyl]propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-[(E)-2-phenylethenyl]phenyl]propan-1-amine is sourced from PubChem (CID 170865314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).