4-[2-(dimethylamino)ethoxy]-N-(2-methylpentan-3-yl)aniline

C16H28N2O — CID 54863929

IUPAC4-[2-(dimethylamino)ethoxy]-N-(2-methylpentan-3-yl)aniline
SMILESCCC(Nc1ccc(OCCN(C)C)cc1)C(C)C
InChIInChI=1S/C16H28N2O/c1-6-16(13(2)3)17-14-7-9-15(10-8-14)19-12-11-18(4)5/h7-10,13,16-17H,6,11-12H2,1-5H3
InChIKeyNELKBAPNVVZSKL-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.47
Rot. Bonds8

About 4-[2-(dimethylamino)ethoxy]-N-(2-methylpentan-3-yl)aniline

4-[2-(dimethylamino)ethoxy]-N-(2-methylpentan-3-yl)aniline (PubChem CID 54863929) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethoxy]-N-(2-methylpentan-3-yl)aniline.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethoxy]-N-(2-methylpentan-3-yl)aniline
PubChem CID54863929
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name4-[2-(dimethylamino)ethoxy]-N-(2-methylpentan-3-yl)aniline
SMILESCCC(Nc1ccc(OCCN(C)C)cc1)C(C)C
InChIInChI=1S/C16H28N2O/c1-6-16(13(2)3)17-14-7-9-15(10-8-14)19-12-11-18(4)5/h7-10,13,16-17H,6,11-12H2,1-5H3
InChIKeyNELKBAPNVVZSKL-UHFFFAOYSA-N
XLogP3.47
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylbutanamide
CID 79013043
N-[1-(5-bromothiophen-2-yl)ethyl]-4-[2-(dimethylamino)ethoxy]aniline
CID 60999617
4-[2-(dimethylamino)ethoxy]-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63991282
4-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methoxypentane-1,4-diamine
CID 103389195
(2R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine
CID 827396
N-butan-2-yl-4-propoxyaniline
CID 21311789
4-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)aniline
CID 82539793
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide
CID 87006868
3-[2-(dimethylamino)ethoxy]-N-pentan-3-ylaniline
CID 43720882
4-butan-2-yl-N-(2-methylpentan-3-yl)aniline
CID 43780446
N-propan-2-yl-4-propoxyaniline
CID 21311809
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methyl-3-(methylamino)propanamide
CID 79196203

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethoxy]-N-(2-methylpentan-3-yl)aniline?
The IUPAC name of 4-[2-(dimethylamino)ethoxy]-N-(2-methylpentan-3-yl)aniline (CID 54863929) is 4-[2-(dimethylamino)ethoxy]-N-(2-methylpentan-3-yl)aniline.
What is the SMILES notation for 4-[2-(dimethylamino)ethoxy]-N-(2-methylpentan-3-yl)aniline?
The canonical SMILES for 4-[2-(dimethylamino)ethoxy]-N-(2-methylpentan-3-yl)aniline is CCC(Nc1ccc(OCCN(C)C)cc1)C(C)C.
What is the InChIKey of 4-[2-(dimethylamino)ethoxy]-N-(2-methylpentan-3-yl)aniline?
The InChIKey is NELKBAPNVVZSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-16(13(2)3)17-14-7-9-15(10-8-14)19-12-11-18(4)5/h7-10,13,16-17H,6,11-12H2,1-5H3.
What are the key properties of 4-[2-(dimethylamino)ethoxy]-N-(2-methylpentan-3-yl)aniline?
4-[2-(dimethylamino)ethoxy]-N-(2-methylpentan-3-yl)aniline has a molecular weight of 264.41 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethoxy]-N-(2-methylpentan-3-yl)aniline is sourced from PubChem (CID 54863929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).