(2R)-1-[4-(3-aminopropoxy)phenyl]propan-2-amine

C12H20N2O — CID 57215719

IUPAC(2R)-1-[4-(3-aminopropoxy)phenyl]propan-2-amine
SMILESC[C@@H](N)Cc1ccc(OCCCN)cc1
InChIInChI=1S/C12H20N2O/c1-10(14)9-11-3-5-12(6-4-11)15-8-2-7-13/h3-6,10H,2,7-9,13-14H2,1H3/t10-/m1/s1
InChIKeyHUEXYIFNOKMDMS-SNVBAGLBSA-N
MW208.30 g/mol
LogP1.30
Rot. Bonds6

About (2R)-1-[4-(3-aminopropoxy)phenyl]propan-2-amine

(2R)-1-[4-(3-aminopropoxy)phenyl]propan-2-amine (PubChem CID 57215719) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is (2R)-1-[4-(3-aminopropoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-[4-(3-aminopropoxy)phenyl]propan-2-amine
PubChem CID57215719
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name(2R)-1-[4-(3-aminopropoxy)phenyl]propan-2-amine
SMILESC[C@@H](N)Cc1ccc(OCCCN)cc1
InChIInChI=1S/C12H20N2O/c1-10(14)9-11-3-5-12(6-4-11)15-8-2-7-13/h3-6,10H,2,7-9,13-14H2,1H3/t10-/m1/s1
InChIKeyHUEXYIFNOKMDMS-SNVBAGLBSA-N
XLogP1.30
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-propoxyphenyl)propan-2-amine;hydrochloride
CID 3027264
1-[4-(2-bromoethoxy)phenyl]propan-2-amine
CID 170864441
1-[4-(2-butoxyethoxy)phenyl]propan-2-amine
CID 54956350
3-[4-(3-aminopropoxy)phenoxy]propan-1-amine
CID 3650737
2-[4-(2-methylpropyl)phenoxy]ethanamine
CID 96670599
1-[4-(2-ethylsulfonylethoxy)phenyl]propan-2-amine
CID 54930795
4-[4-[(2R)-2-aminopropyl]phenyl]butan-1-amine
CID 57249911
1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-2-amine
CID 60907315
1-[4-[4-(4-chlorophenoxy)phenoxy]phenyl]propan-2-amine
CID 143625777
(2S)-2-amino-3-[4-(4-aminobutoxy)phenyl]propanoic acid
CID 142948465
[4-(3-aminopropoxy)phenyl]methanol;hydrochloride
CID 118916202
(2R)-1-(3-butoxyphenyl)propan-2-amine
CID 171719991

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(3-aminopropoxy)phenyl]propan-2-amine?
The IUPAC name of (2R)-1-[4-(3-aminopropoxy)phenyl]propan-2-amine (CID 57215719) is (2R)-1-[4-(3-aminopropoxy)phenyl]propan-2-amine.
What is the SMILES notation for (2R)-1-[4-(3-aminopropoxy)phenyl]propan-2-amine?
The canonical SMILES for (2R)-1-[4-(3-aminopropoxy)phenyl]propan-2-amine is C[C@@H](N)Cc1ccc(OCCCN)cc1.
What is the InChIKey of (2R)-1-[4-(3-aminopropoxy)phenyl]propan-2-amine?
The InChIKey is HUEXYIFNOKMDMS-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10(14)9-11-3-5-12(6-4-11)15-8-2-7-13/h3-6,10H,2,7-9,13-14H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-1-[4-(3-aminopropoxy)phenyl]propan-2-amine?
(2R)-1-[4-(3-aminopropoxy)phenyl]propan-2-amine has a molecular weight of 208.30 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(3-aminopropoxy)phenyl]propan-2-amine is sourced from PubChem (CID 57215719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).