N,N-dimethyl-4-[(Z)-3-phenylbut-2-en-2-yl]aniline

C18H21N — CID 21335817

IUPACN,N-dimethyl-4-[(Z)-3-phenylbut-2-en-2-yl]aniline
SMILESC/C(=C(\C)c1ccc(N(C)C)cc1)c1ccccc1
InChIInChI=1S/C18H21N/c1-14(16-8-6-5-7-9-16)15(2)17-10-12-18(13-11-17)19(3)4/h5-13H,1-4H3/b15-14-
InChIKeySQWYAOBAERIFMK-PFONDFGASA-N
MW251.37 g/mol
LogP4.70
Rot. Bonds3

About N,N-dimethyl-4-[(Z)-3-phenylbut-2-en-2-yl]aniline

N,N-dimethyl-4-[(Z)-3-phenylbut-2-en-2-yl]aniline (PubChem CID 21335817) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is N,N-dimethyl-4-[(Z)-3-phenylbut-2-en-2-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(Z)-3-phenylbut-2-en-2-yl]aniline
PubChem CID21335817
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC NameN,N-dimethyl-4-[(Z)-3-phenylbut-2-en-2-yl]aniline
SMILESC/C(=C(\C)c1ccc(N(C)C)cc1)c1ccccc1
InChIInChI=1S/C18H21N/c1-14(16-8-6-5-7-9-16)15(2)17-10-12-18(13-11-17)19(3)4/h5-13H,1-4H3/b15-14-
InChIKeySQWYAOBAERIFMK-PFONDFGASA-N
XLogP4.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

CID 102282703
CID 102282703
1-[4-(dimethylamino)phenyl]-2-phenylethane-1,2-dithione
CID 14817511
[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
N,N-dimethyl-4-[(E)-1-phenylprop-1-enyl]aniline
CID 5382979
bis((Z)-1-[4-(dimethylamino)phenyl]-2-phenylethene-1,2-dithiol);nickel
CID 155859224
N,N-dimethylaniline;methanol
CID 143205399
N,N-dimethylaniline
CID 70392672
N,N-dimethylaniline;hydrofluoride
CID 160775229
N,N-dimethylaniline;mercury
CID 158660084
N,N-dimethylaniline;osmium(4+)
CID 172845967
N,N-dimethylaniline;hydron
CID 174471199
N,N-dimethylaniline;nickel
CID 158294400

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(Z)-3-phenylbut-2-en-2-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[(Z)-3-phenylbut-2-en-2-yl]aniline (CID 21335817) is N,N-dimethyl-4-[(Z)-3-phenylbut-2-en-2-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(Z)-3-phenylbut-2-en-2-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(Z)-3-phenylbut-2-en-2-yl]aniline is C/C(=C(\C)c1ccc(N(C)C)cc1)c1ccccc1.
What is the InChIKey of N,N-dimethyl-4-[(Z)-3-phenylbut-2-en-2-yl]aniline?
The InChIKey is SQWYAOBAERIFMK-PFONDFGASA-N. The full InChI is InChI=1S/C18H21N/c1-14(16-8-6-5-7-9-16)15(2)17-10-12-18(13-11-17)19(3)4/h5-13H,1-4H3/b15-14-.
What are the key properties of N,N-dimethyl-4-[(Z)-3-phenylbut-2-en-2-yl]aniline?
N,N-dimethyl-4-[(Z)-3-phenylbut-2-en-2-yl]aniline has a molecular weight of 251.37 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(Z)-3-phenylbut-2-en-2-yl]aniline is sourced from PubChem (CID 21335817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).