N-[chloro-bis(dimethylamino)-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-λ5-phosphanyl]-N-methylmethanamine

C17H31ClN3O3P — CID 10385815

IUPACN-[chloro-bis(dimethylamino)-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-λ5-phosphanyl]-N-methylmethanamine
SMILESCOc1cc(/C=C/P(Cl)(N(C)C)(N(C)C)N(C)C)cc(OC)c1OC
InChIInChI=1S/C17H31ClN3O3P/c1-19(2)25(18,20(3)4,21(5)6)11-10-14-12-15(22-7)17(24-9)16(13-14)23-8/h10-13H,1-9H3/b11-10+
InChIKeyGHZHNTVXTKPDLX-ZHACJKMWSA-N
MW391.88 g/mol
LogP3.82
Rot. Bonds8

About N-[chloro-bis(dimethylamino)-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-λ5-phosphanyl]-N-methylmethanamine

N-[chloro-bis(dimethylamino)-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-λ5-phosphanyl]-N-methylmethanamine (PubChem CID 10385815) has the molecular formula C17H31ClN3O3P and a molecular weight of 391.88 g/mol. Its IUPAC name is N-[chloro-bis(dimethylamino)-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-λ5-phosphanyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[chloro-bis(dimethylamino)-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-λ5-phosphanyl]-N-methylmethanamine
PubChem CID10385815
Molecular FormulaC17H31ClN3O3P
Molecular Weight391.88 g/mol
Exact Mass391.18
IUPAC NameN-[chloro-bis(dimethylamino)-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-λ5-phosphanyl]-N-methylmethanamine
SMILESCOc1cc(/C=C/P(Cl)(N(C)C)(N(C)C)N(C)C)cc(OC)c1OC
InChIInChI=1S/C17H31ClN3O3P/c1-19(2)25(18,20(3)4,21(5)6)11-10-14-12-15(22-7)17(24-9)16(13-14)23-8/h10-13H,1-9H3/b11-10+
InChIKeyGHZHNTVXTKPDLX-ZHACJKMWSA-N
XLogP3.82
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 54188943
2,3-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 69302242
5-[(E)-3,3-dimethylbut-1-enyl]-1,2,3-trimethoxybenzene
CID 20785899
1,2,3-trimethoxy-5-[2-(2,4,5-trimethoxyphenyl)ethenyl]benzene
CID 85446251
N-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]methanethioamide
CID 88523699
4-[2-(3,5-dimethoxyphenyl)ethenyl]-N-[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-N-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]aniline
CID 77387181
1,2,3-trimethoxy-5-[4-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]phenyl]benzene
CID 155816049
5-[(E)-2-(4-ethenylphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 59348795
ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832
1,2,3-trimethoxy-5-[(Z)-2-nitroethenyl]benzene
CID 23803810
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 53415045
5-[2-(4-fluoro-3-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 175460440

Frequently Asked Questions

What is the IUPAC name of N-[chloro-bis(dimethylamino)-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-λ5-phosphanyl]-N-methylmethanamine?
The IUPAC name of N-[chloro-bis(dimethylamino)-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-λ5-phosphanyl]-N-methylmethanamine (CID 10385815) is N-[chloro-bis(dimethylamino)-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-λ5-phosphanyl]-N-methylmethanamine.
What is the SMILES notation for N-[chloro-bis(dimethylamino)-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-λ5-phosphanyl]-N-methylmethanamine?
The canonical SMILES for N-[chloro-bis(dimethylamino)-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-λ5-phosphanyl]-N-methylmethanamine is COc1cc(/C=C/P(Cl)(N(C)C)(N(C)C)N(C)C)cc(OC)c1OC.
What is the InChIKey of N-[chloro-bis(dimethylamino)-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-λ5-phosphanyl]-N-methylmethanamine?
The InChIKey is GHZHNTVXTKPDLX-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H31ClN3O3P/c1-19(2)25(18,20(3)4,21(5)6)11-10-14-12-15(22-7)17(24-9)16(13-14)23-8/h10-13H,1-9H3/b11-10+.
What are the key properties of N-[chloro-bis(dimethylamino)-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-λ5-phosphanyl]-N-methylmethanamine?
N-[chloro-bis(dimethylamino)-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-λ5-phosphanyl]-N-methylmethanamine has a molecular weight of 391.88 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloro-bis(dimethylamino)-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-λ5-phosphanyl]-N-methylmethanamine is sourced from PubChem (CID 10385815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).