(2R)-2-N-[(4-chloro-2-fluorophenyl)methyl]propane-1,2-diamine

C10H14ClFN2 — CID 104868033

IUPAC(2R)-2-N-[(4-chloro-2-fluorophenyl)methyl]propane-1,2-diamine
SMILESC[C@H](CN)NCc1ccc(Cl)cc1F
InChIInChI=1S/C10H14ClFN2/c1-7(5-13)14-6-8-2-3-9(11)4-10(8)12/h2-4,7,14H,5-6,13H2,1H3/t7-/m1/s1
InChIKeyADVMLDFJBOKVFU-SSDOTTSWSA-N
MW216.69 g/mol
LogP1.92
Rot. Bonds4

About (2R)-2-N-[(4-chloro-2-fluorophenyl)methyl]propane-1,2-diamine

(2R)-2-N-[(4-chloro-2-fluorophenyl)methyl]propane-1,2-diamine (PubChem CID 104868033) has the molecular formula C10H14ClFN2 and a molecular weight of 216.69 g/mol. Its IUPAC name is (2R)-2-N-[(4-chloro-2-fluorophenyl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-2-N-[(4-chloro-2-fluorophenyl)methyl]propane-1,2-diamine
PubChem CID104868033
Molecular FormulaC10H14ClFN2
Molecular Weight216.69 g/mol
Exact Mass216.08
IUPAC Name(2R)-2-N-[(4-chloro-2-fluorophenyl)methyl]propane-1,2-diamine
SMILESC[C@H](CN)NCc1ccc(Cl)cc1F
InChIInChI=1S/C10H14ClFN2/c1-7(5-13)14-6-8-2-3-9(11)4-10(8)12/h2-4,7,14H,5-6,13H2,1H3/t7-/m1/s1
InChIKeyADVMLDFJBOKVFU-SSDOTTSWSA-N
XLogP1.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.69
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chloro-2-fluorophenyl)methyl]-5-methylhexan-2-amine
CID 114841421
(2R)-2-N-[(4-chloro-2,5-difluorophenyl)methyl]propane-1,2-diamine
CID 104867950
3-N-[(4-chloro-2-fluorophenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 114750815
(2R)-2-N-[(2,5-difluorophenyl)methyl]propane-1,2-diamine
CID 104868144
N-[(4-chloro-2-fluorophenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 114841774
methyl (2S)-2-[(4-chloro-2-fluorophenyl)methylamino]propanoate
CID 104979957
3-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-2-methylbutan-2-amine
CID 114859428
N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 114841425
(1S)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 104979988
(1R)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 104980004
(2S)-2-N-[(3-chlorophenyl)methyl]propane-1,2-diamine
CID 104867783
N-[(4-chloro-2-fluorophenyl)methyl]hexan-3-amine
CID 114842256

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-[(4-chloro-2-fluorophenyl)methyl]propane-1,2-diamine?
The IUPAC name of (2R)-2-N-[(4-chloro-2-fluorophenyl)methyl]propane-1,2-diamine (CID 104868033) is (2R)-2-N-[(4-chloro-2-fluorophenyl)methyl]propane-1,2-diamine.
What is the SMILES notation for (2R)-2-N-[(4-chloro-2-fluorophenyl)methyl]propane-1,2-diamine?
The canonical SMILES for (2R)-2-N-[(4-chloro-2-fluorophenyl)methyl]propane-1,2-diamine is C[C@H](CN)NCc1ccc(Cl)cc1F.
What is the InChIKey of (2R)-2-N-[(4-chloro-2-fluorophenyl)methyl]propane-1,2-diamine?
The InChIKey is ADVMLDFJBOKVFU-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14ClFN2/c1-7(5-13)14-6-8-2-3-9(11)4-10(8)12/h2-4,7,14H,5-6,13H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-2-N-[(4-chloro-2-fluorophenyl)methyl]propane-1,2-diamine?
(2R)-2-N-[(4-chloro-2-fluorophenyl)methyl]propane-1,2-diamine has a molecular weight of 216.69 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-[(4-chloro-2-fluorophenyl)methyl]propane-1,2-diamine is sourced from PubChem (CID 104868033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).