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

C13H22N2 — CID 57249911

IUPAC4-[4-[(2R)-2-aminopropyl]phenyl]butan-1-amine
SMILESC[C@@H](N)Cc1ccc(CCCCN)cc1
InChIInChI=1S/C13H22N2/c1-11(15)10-13-7-5-12(6-8-13)4-2-3-9-14/h5-8,11H,2-4,9-10,14-15H2,1H3/t11-/m1/s1
InChIKeyZBRNSBHRDKOMGQ-LLVKDONJSA-N
MW206.33 g/mol
LogP1.86
Rot. Bonds6

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

4-[4-[(2R)-2-aminopropyl]phenyl]butan-1-amine (PubChem CID 57249911) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-[4-[(2R)-2-aminopropyl]phenyl]butan-1-amine.

Molecular Properties

Compound Name4-[4-[(2R)-2-aminopropyl]phenyl]butan-1-amine
PubChem CID57249911
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name4-[4-[(2R)-2-aminopropyl]phenyl]butan-1-amine
SMILESC[C@@H](N)Cc1ccc(CCCCN)cc1
InChIInChI=1S/C13H22N2/c1-11(15)10-13-7-5-12(6-8-13)4-2-3-9-14/h5-8,11H,2-4,9-10,14-15H2,1H3/t11-/m1/s1
InChIKeyZBRNSBHRDKOMGQ-LLVKDONJSA-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

4-[4-(4-aminobutyl)phenyl]butan-1-amine
CID 13016028
4-[4-(4-methylpentyl)phenyl]butan-1-amine
CID 143596731
(2R)-1-[4-(3-aminopropoxy)phenyl]propan-2-amine
CID 57215719
1-(4-chlorophenyl)propan-2-amine
CID 3127
4-[2-(2-aminopropyl)phenyl]butan-1-amine
CID 66940380
3-[4-(2-methoxypropyl)phenyl]propan-1-amine
CID 117296745
6-(4-propylphenyl)hexan-1-amine
CID 65300510
5-(4-propan-2-yloxyphenyl)pentan-1-amine
CID 54244328
[4-(4-aminobutyl)phenyl]methanol
CID 11550093
3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride
CID 22743257
4-[4-[2-(dimethylamino)ethyl]phenyl]butan-1-amine
CID 117314930
4-(4-methylsulfanylphenyl)butan-1-amine
CID 10559771

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2R)-2-aminopropyl]phenyl]butan-1-amine?
The IUPAC name of 4-[4-[(2R)-2-aminopropyl]phenyl]butan-1-amine (CID 57249911) is 4-[4-[(2R)-2-aminopropyl]phenyl]butan-1-amine.
What is the SMILES notation for 4-[4-[(2R)-2-aminopropyl]phenyl]butan-1-amine?
The canonical SMILES for 4-[4-[(2R)-2-aminopropyl]phenyl]butan-1-amine is C[C@@H](N)Cc1ccc(CCCCN)cc1.
What is the InChIKey of 4-[4-[(2R)-2-aminopropyl]phenyl]butan-1-amine?
The InChIKey is ZBRNSBHRDKOMGQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22N2/c1-11(15)10-13-7-5-12(6-8-13)4-2-3-9-14/h5-8,11H,2-4,9-10,14-15H2,1H3/t11-/m1/s1.
What are the key properties of 4-[4-[(2R)-2-aminopropyl]phenyl]butan-1-amine?
4-[4-[(2R)-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-[4-[(2R)-2-aminopropyl]phenyl]butan-1-amine is sourced from PubChem (CID 57249911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).