(2R)-2-N-[(3,5-dichlorophenyl)methyl]propane-1,2-diamine

C10H14Cl2N2 — CID 104868163

IUPAC(2R)-2-N-[(3,5-dichlorophenyl)methyl]propane-1,2-diamine
SMILESC[C@H](CN)NCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H14Cl2N2/c1-7(5-13)14-6-8-2-9(11)4-10(12)3-8/h2-4,7,14H,5-6,13H2,1H3/t7-/m1/s1
InChIKeyKOVBONGLTIKFRF-SSDOTTSWSA-N
MW233.14 g/mol
LogP2.43
Rot. Bonds4

About (2R)-2-N-[(3,5-dichlorophenyl)methyl]propane-1,2-diamine

(2R)-2-N-[(3,5-dichlorophenyl)methyl]propane-1,2-diamine (PubChem CID 104868163) has the molecular formula C10H14Cl2N2 and a molecular weight of 233.14 g/mol. Its IUPAC name is (2R)-2-N-[(3,5-dichlorophenyl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-2-N-[(3,5-dichlorophenyl)methyl]propane-1,2-diamine
PubChem CID104868163
Molecular FormulaC10H14Cl2N2
Molecular Weight233.14 g/mol
Exact Mass232.05
IUPAC Name(2R)-2-N-[(3,5-dichlorophenyl)methyl]propane-1,2-diamine
SMILESC[C@H](CN)NCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H14Cl2N2/c1-7(5-13)14-6-8-2-9(11)4-10(12)3-8/h2-4,7,14H,5-6,13H2,1H3/t7-/m1/s1
InChIKeyKOVBONGLTIKFRF-SSDOTTSWSA-N
XLogP2.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dichlorophenyl)methyl]butan-2-amine
CID 46736337
(2S)-2-N-[(3-chlorophenyl)methyl]propane-1,2-diamine
CID 104867783
2-N-[(3-bromo-5-methylphenyl)methyl]propane-1,2-diamine
CID 104851447
1-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine
CID 60789791
N-[(3,5-dichlorophenyl)methyl]pentan-3-amine
CID 60788781
(2R)-2-N-[(4-chloro-2-fluorophenyl)methyl]propane-1,2-diamine
CID 104868033
N-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 54920089
N-[(3-chloro-5-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine
CID 114453134
(2R)-2-N-[(3,4,5-triethoxyphenyl)methyl]propane-1,2-diamine
CID 104868075
(2R)-2-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine
CID 104868204
2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 113406685
(1R)-N-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81348826

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-[(3,5-dichlorophenyl)methyl]propane-1,2-diamine?
The IUPAC name of (2R)-2-N-[(3,5-dichlorophenyl)methyl]propane-1,2-diamine (CID 104868163) is (2R)-2-N-[(3,5-dichlorophenyl)methyl]propane-1,2-diamine.
What is the SMILES notation for (2R)-2-N-[(3,5-dichlorophenyl)methyl]propane-1,2-diamine?
The canonical SMILES for (2R)-2-N-[(3,5-dichlorophenyl)methyl]propane-1,2-diamine is C[C@H](CN)NCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of (2R)-2-N-[(3,5-dichlorophenyl)methyl]propane-1,2-diamine?
The InChIKey is KOVBONGLTIKFRF-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14Cl2N2/c1-7(5-13)14-6-8-2-9(11)4-10(12)3-8/h2-4,7,14H,5-6,13H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-2-N-[(3,5-dichlorophenyl)methyl]propane-1,2-diamine?
(2R)-2-N-[(3,5-dichlorophenyl)methyl]propane-1,2-diamine has a molecular weight of 233.14 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-[(3,5-dichlorophenyl)methyl]propane-1,2-diamine is sourced from PubChem (CID 104868163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).