N,N-dimethyl-3-[4-[(E)-2-(2-nitrophenyl)ethenyl]phenoxy]propan-1-amine

C19H22N2O3 — CID 118960630

IUPACN,N-dimethyl-3-[4-[(E)-2-(2-nitrophenyl)ethenyl]phenoxy]propan-1-amine
SMILESCN(C)CCCOc1ccc(/C=C/c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C19H22N2O3/c1-20(2)14-5-15-24-18-12-9-16(10-13-18)8-11-17-6-3-4-7-19(17)21(22)23/h3-4,6-13H,5,14-15H2,1-2H3/b11-8+
InChIKeyXRZNZGJBGBFOJT-DHZHZOJOSA-N
MW326.40 g/mol
LogP4.10
Rot. Bonds8

About N,N-dimethyl-3-[4-[(E)-2-(2-nitrophenyl)ethenyl]phenoxy]propan-1-amine

N,N-dimethyl-3-[4-[(E)-2-(2-nitrophenyl)ethenyl]phenoxy]propan-1-amine (PubChem CID 118960630) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-[(E)-2-(2-nitrophenyl)ethenyl]phenoxy]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-[(E)-2-(2-nitrophenyl)ethenyl]phenoxy]propan-1-amine
PubChem CID118960630
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN,N-dimethyl-3-[4-[(E)-2-(2-nitrophenyl)ethenyl]phenoxy]propan-1-amine
SMILESCN(C)CCCOc1ccc(/C=C/c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C19H22N2O3/c1-20(2)14-5-15-24-18-12-9-16(10-13-18)8-11-17-6-3-4-7-19(17)21(22)23/h3-4,6-13H,5,14-15H2,1-2H3/b11-8+
InChIKeyXRZNZGJBGBFOJT-DHZHZOJOSA-N
XLogP4.10
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-methoxyphenyl)ethenyl]-2-nitrobenzene
CID 73187719
[4-[2-(2-nitrophenyl)ethenyl]phenyl] acetate
CID 66627035
N,N-dimethyl-2-[4-[(E)-2-nitroethenyl]phenoxy]ethanamine
CID 55017611
N,N-dimethyl-3-[4-[(Z)-prop-1-enyl]phenoxy]propan-1-amine
CID 143260557
3-[4-[3-(dimethylamino)propoxy]phenyl]prop-2-enal
CID 140994442
4-[(E)-2-(2-nitrophenyl)ethenyl]benzonitrile
CID 155931404
2-[(4-methoxyphenyl)methoxy]-1-nitro-3-[(Z)-2-[4-(4-phenylbutoxy)phenyl]ethenyl]benzene
CID 68509806
5-[2-(dimethylamino)ethoxy]-2-nitrobenzaldehyde
CID 11708505
1-[4-[3-(dimethylamino)propoxy]phenyl]-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
CID 68554617
3-[4-[(Z)-1-(4-methoxyphenyl)-2-nitro-2-phenylethenyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 3037195
1,2-bis[2-(4-pentadecoxyphenyl)ethenyl]benzene
CID 141172916
1-[4-(4-ethoxyphenoxy)butoxy]-2-nitrobenzene
CID 2899468

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-[(E)-2-(2-nitrophenyl)ethenyl]phenoxy]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[4-[(E)-2-(2-nitrophenyl)ethenyl]phenoxy]propan-1-amine (CID 118960630) is N,N-dimethyl-3-[4-[(E)-2-(2-nitrophenyl)ethenyl]phenoxy]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[4-[(E)-2-(2-nitrophenyl)ethenyl]phenoxy]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[4-[(E)-2-(2-nitrophenyl)ethenyl]phenoxy]propan-1-amine is CN(C)CCCOc1ccc(/C=C/c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N,N-dimethyl-3-[4-[(E)-2-(2-nitrophenyl)ethenyl]phenoxy]propan-1-amine?
The InChIKey is XRZNZGJBGBFOJT-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-20(2)14-5-15-24-18-12-9-16(10-13-18)8-11-17-6-3-4-7-19(17)21(22)23/h3-4,6-13H,5,14-15H2,1-2H3/b11-8+.
What are the key properties of N,N-dimethyl-3-[4-[(E)-2-(2-nitrophenyl)ethenyl]phenoxy]propan-1-amine?
N,N-dimethyl-3-[4-[(E)-2-(2-nitrophenyl)ethenyl]phenoxy]propan-1-amine has a molecular weight of 326.40 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-[(E)-2-(2-nitrophenyl)ethenyl]phenoxy]propan-1-amine is sourced from PubChem (CID 118960630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).