3-(3-chlorophenoxy)propane-1,2-diamine

C9H13ClN2O — CID 70391291

IUPAC3-(3-chlorophenoxy)propane-1,2-diamine
SMILESNCC(N)COc1cccc(Cl)c1
InChIInChI=1S/C9H13ClN2O/c10-7-2-1-3-9(4-7)13-6-8(12)5-11/h1-4,8H,5-6,11-12H2
InChIKeyNESBMHPVBONPOA-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.00
Rot. Bonds4

About 3-(3-chlorophenoxy)propane-1,2-diamine

3-(3-chlorophenoxy)propane-1,2-diamine (PubChem CID 70391291) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)propane-1,2-diamine.

Molecular Properties

Compound Name3-(3-chlorophenoxy)propane-1,2-diamine
PubChem CID70391291
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name3-(3-chlorophenoxy)propane-1,2-diamine
SMILESNCC(N)COc1cccc(Cl)c1
InChIInChI=1S/C9H13ClN2O/c10-7-2-1-3-9(4-7)13-6-8(12)5-11/h1-4,8H,5-6,11-12H2
InChIKeyNESBMHPVBONPOA-UHFFFAOYSA-N
XLogP1.00
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine
CID 116820988
1-(3-chlorophenoxy)-5-methylhexan-2-amine
CID 105126678
1-(3-chlorophenoxy)propan-2-amine;hydrochloride
CID 86262438
1-(3-chlorophenoxy)-3-cyclopropylpropan-2-amine
CID 105152729
2-[(3-chlorophenoxy)methyl]butan-1-amine
CID 117241903
1-(3-chlorophenyl)-3-phenoxypropan-2-amine
CID 55103537
3-(3-chlorophenoxy)-2-ethoxypropan-1-amine
CID 63069680
1-(3-chlorophenoxy)-3-methylbutan-2-amine;hydrochloride
CID 86262539
1-(3-chlorophenoxy)but-3-en-2-amine
CID 105161067
1-(3-chlorophenoxy)-3,3-dimethylbutan-2-amine
CID 105145912
2-(3-chlorophenyl)-3-phenoxypropan-1-amine
CID 117242977
1-(5-bromofuran-2-yl)-2-(3-chlorophenoxy)ethanamine
CID 117240114

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)propane-1,2-diamine?
The IUPAC name of 3-(3-chlorophenoxy)propane-1,2-diamine (CID 70391291) is 3-(3-chlorophenoxy)propane-1,2-diamine.
What is the SMILES notation for 3-(3-chlorophenoxy)propane-1,2-diamine?
The canonical SMILES for 3-(3-chlorophenoxy)propane-1,2-diamine is NCC(N)COc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenoxy)propane-1,2-diamine?
The InChIKey is NESBMHPVBONPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c10-7-2-1-3-9(4-7)13-6-8(12)5-11/h1-4,8H,5-6,11-12H2.
What are the key properties of 3-(3-chlorophenoxy)propane-1,2-diamine?
3-(3-chlorophenoxy)propane-1,2-diamine has a molecular weight of 200.67 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)propane-1,2-diamine is sourced from PubChem (CID 70391291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).