3-(3-methylbutoxy)-N-(2-phenylethyl)aniline

C19H25NO — CID 54800482

IUPAC3-(3-methylbutoxy)-N-(2-phenylethyl)aniline
SMILESCC(C)CCOc1cccc(NCCc2ccccc2)c1
InChIInChI=1S/C19H25NO/c1-16(2)12-14-21-19-10-6-9-18(15-19)20-13-11-17-7-4-3-5-8-17/h3-10,15-16,20H,11-14H2,1-2H3
InChIKeyHOUACCFPQUSFKK-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.77
Rot. Bonds8

About 3-(3-methylbutoxy)-N-(2-phenylethyl)aniline

3-(3-methylbutoxy)-N-(2-phenylethyl)aniline (PubChem CID 54800482) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-(3-methylbutoxy)-N-(2-phenylethyl)aniline.

Molecular Properties

Compound Name3-(3-methylbutoxy)-N-(2-phenylethyl)aniline
PubChem CID54800482
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name3-(3-methylbutoxy)-N-(2-phenylethyl)aniline
SMILESCC(C)CCOc1cccc(NCCc2ccccc2)c1
InChIInChI=1S/C19H25NO/c1-16(2)12-14-21-19-10-6-9-18(15-19)20-13-11-17-7-4-3-5-8-17/h3-10,15-16,20H,11-14H2,1-2H3
InChIKeyHOUACCFPQUSFKK-UHFFFAOYSA-N
XLogP4.77
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 ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-(2-phenylethyl)aniline
CID 13391245
N-[2-(4-methoxyphenyl)ethyl]-3-(3-phenylpropoxy)aniline
CID 54801882
N-[3-(3-methylbutoxy)phenyl]-N'-(1-phenylpropyl)ethane-1,2-diamine
CID 54808232
N-[3-(3-methylbutoxy)phenyl]-3-phenylpropanamide
CID 17097232
N-hexyl-3-(3-methylbutoxy)aniline
CID 54800922
N-(4-chlorophenyl)-N'-[3-(3-methylbutoxy)phenyl]ethane-1,2-diamine
CID 54805537
N-[(4-fluorophenyl)methyl]-3-(3-methylbutoxy)aniline
CID 54800545
N'-[3-(3-methylbutoxy)phenyl]-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808037
3-(3-methylbutoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
CID 54800519
N'-(2-chlorophenyl)-N-[3-(3-methylbutoxy)phenyl]ethane-1,2-diamine
CID 54806534
N-[3-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54837285
N-[3-(3-methylbutoxy)phenyl]-3-(2-phenylethoxy)benzamide
CID 17134436

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutoxy)-N-(2-phenylethyl)aniline?
The IUPAC name of 3-(3-methylbutoxy)-N-(2-phenylethyl)aniline (CID 54800482) is 3-(3-methylbutoxy)-N-(2-phenylethyl)aniline.
What is the SMILES notation for 3-(3-methylbutoxy)-N-(2-phenylethyl)aniline?
The canonical SMILES for 3-(3-methylbutoxy)-N-(2-phenylethyl)aniline is CC(C)CCOc1cccc(NCCc2ccccc2)c1.
What is the InChIKey of 3-(3-methylbutoxy)-N-(2-phenylethyl)aniline?
The InChIKey is HOUACCFPQUSFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-16(2)12-14-21-19-10-6-9-18(15-19)20-13-11-17-7-4-3-5-8-17/h3-10,15-16,20H,11-14H2,1-2H3.
What are the key properties of 3-(3-methylbutoxy)-N-(2-phenylethyl)aniline?
3-(3-methylbutoxy)-N-(2-phenylethyl)aniline has a molecular weight of 283.42 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutoxy)-N-(2-phenylethyl)aniline is sourced from PubChem (CID 54800482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).