3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride

C12H22Cl2N2 — CID 22743257

IUPAC3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride
SMILESCl.Cl.NCCCc1ccc(CCCN)cc1
InChIInChI=1S/C12H20N2.2ClH/c13-9-1-3-11-5-7-12(8-6-11)4-2-10-14;;/h5-8H,1-4,9-10,13-14H2;2*1H
InChIKeyPOQKPLVINBIOPK-UHFFFAOYSA-N
MW265.23 g/mol
LogP2.31
Rot. Bonds6

About 3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride

3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride (PubChem CID 22743257) has the molecular formula C12H22Cl2N2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride
PubChem CID22743257
Molecular FormulaC12H22Cl2N2
Molecular Weight265.23 g/mol
Exact Mass264.12
IUPAC Name3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride
SMILESCl.Cl.NCCCc1ccc(CCCN)cc1
InChIInChI=1S/C12H20N2.2ClH/c13-9-1-3-11-5-7-12(8-6-11)4-2-10-14;;/h5-8H,1-4,9-10,13-14H2;2*1H
InChIKeyPOQKPLVINBIOPK-UHFFFAOYSA-N
XLogP2.31
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(4-aminobutyl)phenyl]butan-1-amine
CID 13016028
4-(3-aminopropyl)phenol
CID 4574248
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CID 174865683
3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 3029814
2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride
CID 68536204
[4-(4-aminobutyl)phenyl]methanol
CID 11550093
4-phenylbutan-1-amine;hydrochloride
CID 44630065
3-[4-(2,2,2-trifluoroethyl)phenyl]propan-1-amine
CID 84682649
3-phenylpropan-1-amine;propane
CID 70273467
4-(4-methoxyphenyl)butan-1-amine;hydrochloride
CID 22715047
3-[4-(1-fluoroethyl)phenyl]propan-1-amine
CID 84658143
6-(4-propylphenyl)hexan-1-amine
CID 65300510

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride?
The IUPAC name of 3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride (CID 22743257) is 3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride.
What is the SMILES notation for 3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride?
The canonical SMILES for 3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride is Cl.Cl.NCCCc1ccc(CCCN)cc1.
What is the InChIKey of 3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride?
The InChIKey is POQKPLVINBIOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2.2ClH/c13-9-1-3-11-5-7-12(8-6-11)4-2-10-14;;/h5-8H,1-4,9-10,13-14H2;2*1H.
What are the key properties of 3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride?
3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride has a molecular weight of 265.23 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride is sourced from PubChem (CID 22743257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).