(1R)-1-(3-chlorophenyl)propane-1,3-diamine;hydrochloride

C9H14Cl2N2 — CID 171199565

IUPAC(1R)-1-(3-chlorophenyl)propane-1,3-diamine;hydrochloride
SMILESCl.NCC[C@@H](N)c1cccc(Cl)c1
InChIInChI=1S/C9H13ClN2.ClH/c10-8-3-1-2-7(6-8)9(12)4-5-11;/h1-3,6,9H,4-5,11-12H2;1H/t9-;/m1./s1
InChIKeyNEZOTYOHDKEXDZ-SBSPUUFOSA-N
MW221.13 g/mol
LogP2.11
Rot. Bonds3

About (1R)-1-(3-chlorophenyl)propane-1,3-diamine;hydrochloride

(1R)-1-(3-chlorophenyl)propane-1,3-diamine;hydrochloride (PubChem CID 171199565) has the molecular formula C9H14Cl2N2 and a molecular weight of 221.13 g/mol. Its IUPAC name is (1R)-1-(3-chlorophenyl)propane-1,3-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3-chlorophenyl)propane-1,3-diamine;hydrochloride
PubChem CID171199565
Molecular FormulaC9H14Cl2N2
Molecular Weight221.13 g/mol
Exact Mass220.05
IUPAC Name(1R)-1-(3-chlorophenyl)propane-1,3-diamine;hydrochloride
SMILESCl.NCC[C@@H](N)c1cccc(Cl)c1
InChIInChI=1S/C9H13ClN2.ClH/c10-8-3-1-2-7(6-8)9(12)4-5-11;/h1-3,6,9H,4-5,11-12H2;1H/t9-;/m1./s1
InChIKeyNEZOTYOHDKEXDZ-SBSPUUFOSA-N
XLogP2.11
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.13
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(3-chlorophenyl)-4-ethylsulfonylbutan-1-amine
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(1S)-1-(3,4-dichlorophenyl)propane-1,3-diamine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chlorophenyl)propane-1,3-diamine;hydrochloride?
The IUPAC name of (1R)-1-(3-chlorophenyl)propane-1,3-diamine;hydrochloride (CID 171199565) is (1R)-1-(3-chlorophenyl)propane-1,3-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(3-chlorophenyl)propane-1,3-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(3-chlorophenyl)propane-1,3-diamine;hydrochloride is Cl.NCC[C@@H](N)c1cccc(Cl)c1.
What is the InChIKey of (1R)-1-(3-chlorophenyl)propane-1,3-diamine;hydrochloride?
The InChIKey is NEZOTYOHDKEXDZ-SBSPUUFOSA-N. The full InChI is InChI=1S/C9H13ClN2.ClH/c10-8-3-1-2-7(6-8)9(12)4-5-11;/h1-3,6,9H,4-5,11-12H2;1H/t9-;/m1./s1.
What are the key properties of (1R)-1-(3-chlorophenyl)propane-1,3-diamine;hydrochloride?
(1R)-1-(3-chlorophenyl)propane-1,3-diamine;hydrochloride has a molecular weight of 221.13 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chlorophenyl)propane-1,3-diamine;hydrochloride is sourced from PubChem (CID 171199565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).