4-[2-(2-aminopropyl)phenyl]butan-1-amine

C13H22N2 — CID 66940380

IUPAC4-[2-(2-aminopropyl)phenyl]butan-1-amine
SMILESCC(N)Cc1ccccc1CCCCN
InChIInChI=1S/C13H22N2/c1-11(15)10-13-8-3-2-6-12(13)7-4-5-9-14/h2-3,6,8,11H,4-5,7,9-10,14-15H2,1H3
InChIKeyHJKRBLCRDJRGHJ-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.86
Rot. Bonds6

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

4-[2-(2-aminopropyl)phenyl]butan-1-amine (PubChem CID 66940380) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-[2-(2-aminopropyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name4-[2-(2-aminopropyl)phenyl]butan-1-amine
PubChem CID66940380
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name4-[2-(2-aminopropyl)phenyl]butan-1-amine
SMILESCC(N)Cc1ccccc1CCCCN
InChIInChI=1S/C13H22N2/c1-11(15)10-13-8-3-2-6-12(13)7-4-5-9-14/h2-3,6,8,11H,4-5,7,9-10,14-15H2,1H3
InChIKeyHJKRBLCRDJRGHJ-UHFFFAOYSA-N
XLogP1.86
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-butylphenyl)propan-2-amine
CID 21117027
3-[2-(2-methoxypropyl)phenyl]propan-1-amine
CID 115113273
5-(2-pentylphenyl)pentan-1-amine
CID 54207535
4-[4-[(2R)-2-aminopropyl]phenyl]butan-1-amine
CID 57249911
4-[2-(2-methylpropoxy)phenyl]butan-1-amine
CID 83932463
[2-[(2S)-2-aminopropyl]phenyl]methanol
CID 130643067
2,6-diamino-1-[2-(2-aminopropyl)phenyl]hexan-1-one
CID 175054462
1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
CID 84724008
1-[2-(4-phenylbutoxy)phenyl]propan-2-amine
CID 114334354
(2-heptylphenyl)methanamine
CID 57355618
1-[2-(2-fluorophenyl)phenyl]propan-2-amine
CID 170864653
azane;[2-(2-methylpropyl)phenyl]methanamine
CID 174953175

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminopropyl)phenyl]butan-1-amine?
The IUPAC name of 4-[2-(2-aminopropyl)phenyl]butan-1-amine (CID 66940380) is 4-[2-(2-aminopropyl)phenyl]butan-1-amine.
What is the SMILES notation for 4-[2-(2-aminopropyl)phenyl]butan-1-amine?
The canonical SMILES for 4-[2-(2-aminopropyl)phenyl]butan-1-amine is CC(N)Cc1ccccc1CCCCN.
What is the InChIKey of 4-[2-(2-aminopropyl)phenyl]butan-1-amine?
The InChIKey is HJKRBLCRDJRGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-11(15)10-13-8-3-2-6-12(13)7-4-5-9-14/h2-3,6,8,11H,4-5,7,9-10,14-15H2,1H3.
What are the key properties of 4-[2-(2-aminopropyl)phenyl]butan-1-amine?
4-[2-(2-aminopropyl)phenyl]butan-1-amine has a molecular weight of 206.33 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminopropyl)phenyl]butan-1-amine is sourced from PubChem (CID 66940380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).