N-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]-N-methylmethanamine

C18H29ClN2O — CID 110507382

IUPACN-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]-N-methylmethanamine
SMILESCCCCCCCCCOc1ccc(/C=N/N(C)C)c(Cl)c1
InChIInChI=1S/C18H29ClN2O/c1-4-5-6-7-8-9-10-13-22-17-12-11-16(18(19)14-17)15-20-21(2)3/h11-12,14-15H,4-10,13H2,1-3H3/b20-15+
InChIKeyYGQKLMOIPAPJEM-HMMYKYKNSA-N
MW324.90 g/mol
LogP5.36
Rot. Bonds11

About N-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]-N-methylmethanamine

N-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]-N-methylmethanamine (PubChem CID 110507382) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is N-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]-N-methylmethanamine
PubChem CID110507382
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC NameN-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]-N-methylmethanamine
SMILESCCCCCCCCCOc1ccc(/C=N/N(C)C)c(Cl)c1
InChIInChI=1S/C18H29ClN2O/c1-4-5-6-7-8-9-10-13-22-17-12-11-16(18(19)14-17)15-20-21(2)3/h11-12,14-15H,4-10,13H2,1-3H3/b20-15+
InChIKeyYGQKLMOIPAPJEM-HMMYKYKNSA-N
XLogP5.36
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.90
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]-3-ethylthiourea
CID 110508682
N-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]pyridin-2-amine
CID 110505596
5-hexoxy-2-[(Z)-[(Z)-(4-hexoxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 136897173
N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-N-methylmethanamine
CID 110507423
N-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 110506613
1,2,3-trichloro-5-heptoxybenzene
CID 101293566
2-chloro-4-decoxybenzonitrile
CID 102724082
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
5-hexoxy-2-(hexyliminomethyl)phenol
CID 136673235
5-nonadecoxy-2-(octadecyliminomethyl)phenol
CID 136694995
2-[10-[(2-hydroxy-4-octadecoxyphenyl)methylideneamino]decyliminomethyl]-5-octadecoxyphenol
CID 136826625

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]-N-methylmethanamine?
The IUPAC name of N-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]-N-methylmethanamine (CID 110507382) is N-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]-N-methylmethanamine is CCCCCCCCCOc1ccc(/C=N/N(C)C)c(Cl)c1.
What is the InChIKey of N-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]-N-methylmethanamine?
The InChIKey is YGQKLMOIPAPJEM-HMMYKYKNSA-N. The full InChI is InChI=1S/C18H29ClN2O/c1-4-5-6-7-8-9-10-13-22-17-12-11-16(18(19)14-17)15-20-21(2)3/h11-12,14-15H,4-10,13H2,1-3H3/b20-15+.
What are the key properties of N-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]-N-methylmethanamine?
N-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]-N-methylmethanamine has a molecular weight of 324.90 g/mol, XLogP of 5.36, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]-N-methylmethanamine is sourced from PubChem (CID 110507382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).