(1R)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine

C10H15FN2 — CID 7127584

IUPAC(1R)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)[C@@H](CN)c1cccc(F)c1
InChIInChI=1S/C10H15FN2/c1-13(2)10(7-12)8-4-3-5-9(11)6-8/h3-6,10H,7,12H2,1-2H3/t10-/m0/s1
InChIKeyJDBOOJQLAVTZQE-JTQLQIEISA-N
MW182.24 g/mol
LogP1.39
Rot. Bonds3

About (1R)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine

(1R)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine (PubChem CID 7127584) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is (1R)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine
PubChem CID7127584
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name(1R)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)[C@@H](CN)c1cccc(F)c1
InChIInChI=1S/C10H15FN2/c1-13(2)10(7-12)8-4-3-5-9(11)6-8/h3-6,10H,7,12H2,1-2H3/t10-/m0/s1
InChIKeyJDBOOJQLAVTZQE-JTQLQIEISA-N
XLogP1.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-(3-fluorophenyl)-N,N-dimethylethanamine
CID 116907486
1-(3-fluorophenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905619
1-(3-fluorophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 65484279
N'-[2-amino-1-(3-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991412
1-(3-fluorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 61422331
N-[(3-bromophenyl)methyl]-1-(3-fluorophenyl)-N-methylethane-1,2-diamine
CID 61415282
1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 61420412
1-(3-fluorophenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
CID 79483927
1-(3-cyclopropylphenyl)-N,N-dimethylethane-1,2-diamine
CID 79984483
1-[1-(dimethylamino)-2-(dimethylsulfamoylamino)ethyl]-3-fluorobenzene
CID 134035716
4-(dimethylamino)-4-(3-fluorophenyl)-2,2-dimethylbutanoic acid
CID 116908326
3-[[2-amino-1-(3-fluorophenyl)ethyl]-propan-2-ylamino]propanenitrile
CID 55020201

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of (1R)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine (CID 7127584) is (1R)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for (1R)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for (1R)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine is CN(C)[C@@H](CN)c1cccc(F)c1.
What is the InChIKey of (1R)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is JDBOOJQLAVTZQE-JTQLQIEISA-N. The full InChI is InChI=1S/C10H15FN2/c1-13(2)10(7-12)8-4-3-5-9(11)6-8/h3-6,10H,7,12H2,1-2H3/t10-/m0/s1.
What are the key properties of (1R)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine?
(1R)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 182.24 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 7127584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).