4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine

C14H24N2O — CID 16786701

IUPAC4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine
SMILESCC(N)CCc1ccc(OCCN(C)C)cc1
InChIInChI=1S/C14H24N2O/c1-12(15)4-5-13-6-8-14(9-7-13)17-11-10-16(2)3/h6-9,12H,4-5,10-11,15H2,1-3H3
InChIKeyDIJWCTOPEODHMJ-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.91
Rot. Bonds7

About 4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine

4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine (PubChem CID 16786701) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine
PubChem CID16786701
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine
SMILESCC(N)CCc1ccc(OCCN(C)C)cc1
InChIInChI=1S/C14H24N2O/c1-12(15)4-5-13-6-8-14(9-7-13)17-11-10-16(2)3/h6-9,12H,4-5,10-11,15H2,1-3H3
InChIKeyDIJWCTOPEODHMJ-UHFFFAOYSA-N
XLogP1.91
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylbutan-2-amine;dihydrochloride
CID 19885274
4-[4-(3-methylbut-3-enoxy)phenyl]butan-2-amine
CID 114471370
4-[4-(3-ethoxypropoxy)phenyl]butan-2-amine
CID 65175903
4-[4-(3-phenylpropoxy)phenyl]butan-2-amine
CID 43094230
4-[4-[2-(dimethylamino)ethoxy]phenyl]-N-propylbutan-2-amine
CID 43279821
2-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylethanamine
CID 171715461
2-[4-[2-(dimethylamino)ethoxy]phenyl]ethanol
CID 83390498
4-[4-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine
CID 103408958
(2R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine
CID 827396
4-[4-(2-ethylbutoxy)phenyl]butan-2-amine
CID 82926712
4-[4-(2-methoxypropoxy)phenyl]butan-2-amine
CID 113382671
4-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 43184619

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine?
The IUPAC name of 4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine (CID 16786701) is 4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine.
What is the SMILES notation for 4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine?
The canonical SMILES for 4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine is CC(N)CCc1ccc(OCCN(C)C)cc1.
What is the InChIKey of 4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine?
The InChIKey is DIJWCTOPEODHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-12(15)4-5-13-6-8-14(9-7-13)17-11-10-16(2)3/h6-9,12H,4-5,10-11,15H2,1-3H3.
What are the key properties of 4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine?
4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine has a molecular weight of 236.36 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine is sourced from PubChem (CID 16786701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).