4-[4-[2-(dimethylamino)ethyl]phenyl]butan-1-amine

C14H24N2 — CID 117314930

IUPAC4-[4-[2-(dimethylamino)ethyl]phenyl]butan-1-amine
SMILESCN(C)CCc1ccc(CCCCN)cc1
InChIInChI=1S/C14H24N2/c1-16(2)12-10-14-8-6-13(7-9-14)5-3-4-11-15/h6-9H,3-5,10-12,15H2,1-2H3
InChIKeyKIWZYTKGICBFFA-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.07
Rot. Bonds7

About 4-[4-[2-(dimethylamino)ethyl]phenyl]butan-1-amine

4-[4-[2-(dimethylamino)ethyl]phenyl]butan-1-amine (PubChem CID 117314930) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-[4-[2-(dimethylamino)ethyl]phenyl]butan-1-amine.

Molecular Properties

Compound Name4-[4-[2-(dimethylamino)ethyl]phenyl]butan-1-amine
PubChem CID117314930
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-[4-[2-(dimethylamino)ethyl]phenyl]butan-1-amine
SMILESCN(C)CCc1ccc(CCCCN)cc1
InChIInChI=1S/C14H24N2/c1-16(2)12-10-14-8-6-13(7-9-14)5-3-4-11-15/h6-9H,3-5,10-12,15H2,1-2H3
InChIKeyKIWZYTKGICBFFA-UHFFFAOYSA-N
XLogP2.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.07
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

4-[4-(4-aminobutyl)phenyl]butan-1-amine
CID 13016028
6-(4-propylphenyl)hexan-1-amine
CID 65300510
[4-(4-aminobutyl)phenyl]methanol
CID 11550093
N'-[2-(4-fluorophenyl)ethyl]-N'-methylbutane-1,4-diamine
CID 94259582
5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentan-1-amine
CID 172845275
3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride
CID 22743257
N,N-dimethyl-2-phenylethanamine;hydrazine
CID 159470324
4-(4-methylsulfanylphenyl)butan-1-amine
CID 10559771
4-[4-(4-methylpentyl)phenyl]butan-1-amine
CID 143596731
4-[3-(dimethylamino)propyl]aniline;ethane
CID 144651557
4-[4-(6-aminohexyl)phenyl]-N,N-dimethylbutanamide
CID 54058207
2-[4-[[4-[2-(dimethylamino)ethyl]phenyl]diazenyl]phenyl]-N,N-dimethylethanamine
CID 101017326

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(dimethylamino)ethyl]phenyl]butan-1-amine?
The IUPAC name of 4-[4-[2-(dimethylamino)ethyl]phenyl]butan-1-amine (CID 117314930) is 4-[4-[2-(dimethylamino)ethyl]phenyl]butan-1-amine.
What is the SMILES notation for 4-[4-[2-(dimethylamino)ethyl]phenyl]butan-1-amine?
The canonical SMILES for 4-[4-[2-(dimethylamino)ethyl]phenyl]butan-1-amine is CN(C)CCc1ccc(CCCCN)cc1.
What is the InChIKey of 4-[4-[2-(dimethylamino)ethyl]phenyl]butan-1-amine?
The InChIKey is KIWZYTKGICBFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-16(2)12-10-14-8-6-13(7-9-14)5-3-4-11-15/h6-9H,3-5,10-12,15H2,1-2H3.
What are the key properties of 4-[4-[2-(dimethylamino)ethyl]phenyl]butan-1-amine?
4-[4-[2-(dimethylamino)ethyl]phenyl]butan-1-amine has a molecular weight of 220.36 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(dimethylamino)ethyl]phenyl]butan-1-amine is sourced from PubChem (CID 117314930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).