N-[2-(3-methylbutoxy)ethyl]-2-phenylaniline

C19H25NO — CID 63488583

IUPACN-[2-(3-methylbutoxy)ethyl]-2-phenylaniline
SMILESCC(C)CCOCCNc1ccccc1-c1ccccc1
InChIInChI=1S/C19H25NO/c1-16(2)12-14-21-15-13-20-19-11-7-6-10-18(19)17-8-4-3-5-9-17/h3-11,16,20H,12-15H2,1-2H3
InChIKeyABOYJUMTEQRCTL-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.83
Rot. Bonds8

About N-[2-(3-methylbutoxy)ethyl]-2-phenylaniline

N-[2-(3-methylbutoxy)ethyl]-2-phenylaniline (PubChem CID 63488583) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[2-(3-methylbutoxy)ethyl]-2-phenylaniline.

Molecular Properties

Compound NameN-[2-(3-methylbutoxy)ethyl]-2-phenylaniline
PubChem CID63488583
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[2-(3-methylbutoxy)ethyl]-2-phenylaniline
SMILESCC(C)CCOCCNc1ccccc1-c1ccccc1
InChIInChI=1S/C19H25NO/c1-16(2)12-14-21-15-13-20-19-11-7-6-10-18(19)17-8-4-3-5-9-17/h3-11,16,20H,12-15H2,1-2H3
InChIKeyABOYJUMTEQRCTL-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.83
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-(2-methoxyethyl)-2-phenylaniline
CID 28569408
1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine
CID 22457316
1-N-(4-methylpentyl)-3-phenylbenzene-1,2-diamine
CID 69128828
N-[2-(3-methylbutoxy)ethyl]-1-phenylethanamine
CID 61483773
2-chloro-6-[2-(3-methylbutoxy)ethylamino]benzenecarbothioamide
CID 55079469
2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]aniline
CID 106450230
4-bromo-2-methyl-N-[2-(3-methylbutoxy)ethyl]aniline
CID 55195414
3-methyl-1-(3-methylbutoxy)butane;phenoxybenzene
CID 175265120
1-methyl-4-[2-(3-methylbutoxy)ethylamino]quinolin-2-one
CID 81244191
benzene-1,2-diol;3-methyl-1-(3-methylbutoxy)butane
CID 175551750
3-chloro-N-[2-(3-methylbutoxy)ethyl]pyridin-4-amine
CID 79839685
4-chloro-2-N-[2-(3-methylbutoxy)ethyl]benzene-1,2-diamine
CID 113315721

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutoxy)ethyl]-2-phenylaniline?
The IUPAC name of N-[2-(3-methylbutoxy)ethyl]-2-phenylaniline (CID 63488583) is N-[2-(3-methylbutoxy)ethyl]-2-phenylaniline.
What is the SMILES notation for N-[2-(3-methylbutoxy)ethyl]-2-phenylaniline?
The canonical SMILES for N-[2-(3-methylbutoxy)ethyl]-2-phenylaniline is CC(C)CCOCCNc1ccccc1-c1ccccc1.
What is the InChIKey of N-[2-(3-methylbutoxy)ethyl]-2-phenylaniline?
The InChIKey is ABOYJUMTEQRCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-16(2)12-14-21-15-13-20-19-11-7-6-10-18(19)17-8-4-3-5-9-17/h3-11,16,20H,12-15H2,1-2H3.
What are the key properties of N-[2-(3-methylbutoxy)ethyl]-2-phenylaniline?
N-[2-(3-methylbutoxy)ethyl]-2-phenylaniline has a molecular weight of 283.42 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutoxy)ethyl]-2-phenylaniline is sourced from PubChem (CID 63488583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).