N-(2-diethylalumanyloxyethyl)-N-phenylaniline

C18H24AlNO — CID 139756118

IUPACN-(2-diethylalumanyloxyethyl)-N-phenylaniline
SMILESCC[Al](CC)OCCN(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14NO.2C2H5.Al/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14;2*1-2;/h1-10H,11-12H2;2*1H2,2H3;/q-1;;;+1
InChIKeyMJZOQLIKUKTWOV-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.87
Rot. Bonds8

About N-(2-diethylalumanyloxyethyl)-N-phenylaniline

N-(2-diethylalumanyloxyethyl)-N-phenylaniline (PubChem CID 139756118) has the molecular formula C18H24AlNO and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(2-diethylalumanyloxyethyl)-N-phenylaniline.

Molecular Properties

Compound NameN-(2-diethylalumanyloxyethyl)-N-phenylaniline
PubChem CID139756118
Molecular FormulaC18H24AlNO
Molecular Weight297.38 g/mol
Exact Mass297.17
IUPAC NameN-(2-diethylalumanyloxyethyl)-N-phenylaniline
SMILESCC[Al](CC)OCCN(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14NO.2C2H5.Al/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14;2*1-2;/h1-10H,11-12H2;2*1H2,2H3;/q-1;;;+1
InChIKeyMJZOQLIKUKTWOV-UHFFFAOYSA-N
XLogP4.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N-phenylaniline;hydrobromide
CID 70419495
butane;N-octyl-N-phenylaniline
CID 175431375
triethyl-[2-(N-phenylanilino)ethyl]azanium bromide
CID 18042
4-methoxy-N-pentyl-N-phenylaniline
CID 174868120
4-(N-phenylanilino)butyl acetate
CID 2782353
N-(2-dihydroxyphosphinothioyloxyethyl)-N-phenylaniline;phosphoric acid
CID 175199651
4-[N-[2-(N-(4-hydroxyphenyl)anilino)ethyl]anilino]phenol
CID 58759192
N,N-diethyl-3-(N-phenylanilino)propanamide
CID 3040700
2-diphenylalumanyloxy-N,N-dimethylethanamine
CID 16688928
N-phenyl-N-(2-piperidin-1-ylethyl)aniline
CID 3064300
4-N-butyl-1-N-ethyl-4-N-phenylbenzene-1,4-diamine
CID 67184223
N-butyl-3-chloro-N-phenylaniline
CID 23348476

Frequently Asked Questions

What is the IUPAC name of N-(2-diethylalumanyloxyethyl)-N-phenylaniline?
The IUPAC name of N-(2-diethylalumanyloxyethyl)-N-phenylaniline (CID 139756118) is N-(2-diethylalumanyloxyethyl)-N-phenylaniline.
What is the SMILES notation for N-(2-diethylalumanyloxyethyl)-N-phenylaniline?
The canonical SMILES for N-(2-diethylalumanyloxyethyl)-N-phenylaniline is CC[Al](CC)OCCN(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-diethylalumanyloxyethyl)-N-phenylaniline?
The InChIKey is MJZOQLIKUKTWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14NO.2C2H5.Al/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14;2*1-2;/h1-10H,11-12H2;2*1H2,2H3;/q-1;;;+1.
What are the key properties of N-(2-diethylalumanyloxyethyl)-N-phenylaniline?
N-(2-diethylalumanyloxyethyl)-N-phenylaniline has a molecular weight of 297.38 g/mol, XLogP of 4.87, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-diethylalumanyloxyethyl)-N-phenylaniline is sourced from PubChem (CID 139756118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).