N,N-dimethyl-4-(1-phenylhexa-1,5-dien-3-yl)aniline

C20H23N — CID 71390388

IUPACN,N-dimethyl-4-(1-phenylhexa-1,5-dien-3-yl)aniline
SMILESC=CCC(C=Cc1ccccc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H23N/c1-4-8-18(12-11-17-9-6-5-7-10-17)19-13-15-20(16-14-19)21(2)3/h4-7,9-16,18H,1,8H2,2-3H3
InChIKeyKYGLAKRWHZHOKC-UHFFFAOYSA-N
MW277.41 g/mol
LogP5.13
Rot. Bonds6

About N,N-dimethyl-4-(1-phenylhexa-1,5-dien-3-yl)aniline

N,N-dimethyl-4-(1-phenylhexa-1,5-dien-3-yl)aniline (PubChem CID 71390388) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is N,N-dimethyl-4-(1-phenylhexa-1,5-dien-3-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(1-phenylhexa-1,5-dien-3-yl)aniline
PubChem CID71390388
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC NameN,N-dimethyl-4-(1-phenylhexa-1,5-dien-3-yl)aniline
SMILESC=CCC(C=Cc1ccccc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H23N/c1-4-8-18(12-11-17-9-6-5-7-10-17)19-13-15-20(16-14-19)21(2)3/h4-7,9-16,18H,1,8H2,2-3H3
InChIKeyKYGLAKRWHZHOKC-UHFFFAOYSA-N
XLogP5.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.41
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-phenylhexa-1,5-dienyl)-4-(trifluoromethyl)benzene
CID 71390384
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
4-[(1S)-1-aminobut-3-enyl]-N,N-dimethylaniline
CID 55270314
N,N-dimethyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline
CID 6015156
N,N-dimethyl-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]aniline
CID 10875699
2-[(E)-2-phenylethenyl]pent-4-enal
CID 12714689
4-[(E)-2-[4-[bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 99649280
4-[(E)-4-iodo-3-pyridin-2-ylbut-1-enyl]-N,N-dimethylaniline
CID 91871787
tris(dimethylamino)-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phosphanium
CID 10794043
(E)-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one
CID 5356057
4-[(E)-3-[4-(dimethylamino)phenyl]-3-(propan-2-ylamino)prop-1-enyl]-N,N-dimethylaniline
CID 56837713
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(1-phenylhexa-1,5-dien-3-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(1-phenylhexa-1,5-dien-3-yl)aniline (CID 71390388) is N,N-dimethyl-4-(1-phenylhexa-1,5-dien-3-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(1-phenylhexa-1,5-dien-3-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(1-phenylhexa-1,5-dien-3-yl)aniline is C=CCC(C=Cc1ccccc1)c1ccc(N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-(1-phenylhexa-1,5-dien-3-yl)aniline?
The InChIKey is KYGLAKRWHZHOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-4-8-18(12-11-17-9-6-5-7-10-17)19-13-15-20(16-14-19)21(2)3/h4-7,9-16,18H,1,8H2,2-3H3.
What are the key properties of N,N-dimethyl-4-(1-phenylhexa-1,5-dien-3-yl)aniline?
N,N-dimethyl-4-(1-phenylhexa-1,5-dien-3-yl)aniline has a molecular weight of 277.41 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(1-phenylhexa-1,5-dien-3-yl)aniline is sourced from PubChem (CID 71390388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).