N-(12-ethoxydodecyl)aniline

C20H35NO — CID 54545171

IUPACN-(12-ethoxydodecyl)aniline
SMILESCCOCCCCCCCCCCCCNc1ccccc1
InChIInChI=1S/C20H35NO/c1-2-22-19-15-10-8-6-4-3-5-7-9-14-18-21-20-16-12-11-13-17-20/h11-13,16-17,21H,2-10,14-15,18-19H2,1H3
InChIKeyZGAJQRQTDYAKKW-UHFFFAOYSA-N
MW305.51 g/mol
LogP6.04
Rot. Bonds15

About N-(12-ethoxydodecyl)aniline

N-(12-ethoxydodecyl)aniline (PubChem CID 54545171) has the molecular formula C20H35NO and a molecular weight of 305.51 g/mol. Its IUPAC name is N-(12-ethoxydodecyl)aniline.

Molecular Properties

Compound NameN-(12-ethoxydodecyl)aniline
PubChem CID54545171
Molecular FormulaC20H35NO
Molecular Weight305.51 g/mol
Exact Mass305.27
IUPAC NameN-(12-ethoxydodecyl)aniline
SMILESCCOCCCCCCCCCCCCNc1ccccc1
InChIInChI=1S/C20H35NO/c1-2-22-19-15-10-8-6-4-3-5-7-9-14-18-21-20-16-12-11-13-17-20/h11-13,16-17,21H,2-10,14-15,18-19H2,1H3
InChIKeyZGAJQRQTDYAKKW-UHFFFAOYSA-N
XLogP6.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.51
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(12-dodecoxydodecyl)aniline
CID 54486065
1-(3-anilinopropyl)-3-(4-ethoxybutyl)-2-methylguanidine
CID 111945989
N-[2-(2-ethoxyethoxy)ethyl]aniline
CID 23009140
N-(4-methoxybutyl)aniline
CID 13042774
N-nonadecylaniline
CID 54509054
N-heptylaniline;hydrate
CID 174886464
N-(3-ethoxypropyl)-4-methylaniline
CID 65176643
4-bromo-N-(3-ethoxypropyl)aniline
CID 65176368
N-[2-(2-butoxyethoxy)ethyl]aniline
CID 55093379
4-ethoxy-N-(3-ethoxypropyl)aniline
CID 65176310
N-(3-ethoxypropyl)-4-(trifluoromethyl)aniline
CID 62648259
N-[4-(4-methylphenoxy)butyl]aniline
CID 82096490

Frequently Asked Questions

What is the IUPAC name of N-(12-ethoxydodecyl)aniline?
The IUPAC name of N-(12-ethoxydodecyl)aniline (CID 54545171) is N-(12-ethoxydodecyl)aniline.
What is the SMILES notation for N-(12-ethoxydodecyl)aniline?
The canonical SMILES for N-(12-ethoxydodecyl)aniline is CCOCCCCCCCCCCCCNc1ccccc1.
What is the InChIKey of N-(12-ethoxydodecyl)aniline?
The InChIKey is ZGAJQRQTDYAKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO/c1-2-22-19-15-10-8-6-4-3-5-7-9-14-18-21-20-16-12-11-13-17-20/h11-13,16-17,21H,2-10,14-15,18-19H2,1H3.
What are the key properties of N-(12-ethoxydodecyl)aniline?
N-(12-ethoxydodecyl)aniline has a molecular weight of 305.51 g/mol, XLogP of 6.04, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(12-ethoxydodecyl)aniline is sourced from PubChem (CID 54545171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).