(2S)-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine

C11H19N3 — CID 106703552

IUPAC(2S)-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine
SMILESCNc1ccccc1CN[C@@H](C)CN
InChIInChI=1S/C11H19N3/c1-9(7-12)14-8-10-5-3-4-6-11(10)13-2/h3-6,9,13-14H,7-8,12H2,1-2H3/t9-/m0/s1
InChIKeyPYEDRYNSHIHFNF-VIFPVBQESA-N
MW193.29 g/mol
LogP1.17
Rot. Bonds5

About (2S)-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine

(2S)-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine (PubChem CID 106703552) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (2S)-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine
PubChem CID106703552
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(2S)-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine
SMILESCNc1ccccc1CN[C@@H](C)CN
InChIInChI=1S/C11H19N3/c1-9(7-12)14-8-10-5-3-4-6-11(10)13-2/h3-6,9,13-14H,7-8,12H2,1-2H3/t9-/m0/s1
InChIKeyPYEDRYNSHIHFNF-VIFPVBQESA-N
XLogP1.17
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-ethyl-1-N-methyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine
CID 106703560
(2R)-2-N-[(2-methylphenyl)methyl]propane-1,2-diamine
CID 104867967
(2R)-2-N-[(2-methylsulfanylphenyl)methyl]propane-1,2-diamine
CID 104867977
1-N-cyclopropyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine
CID 106703507
2-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propane-1,2-diamine
CID 103387459
(2R)-2-N-[(2-methoxyphenyl)methyl]propane-1,2-diamine
CID 104867958
N-methyl-2-(methylaminomethyl)aniline
CID 576504
2-N-[[2-(diethylaminomethyl)phenyl]methyl]propane-1,2-diamine
CID 103387469
(2R)-2-N-[(2-ethoxyphenyl)methyl]propane-1,2-diamine
CID 104868300
2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine
CID 114553095
(2R)-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine
CID 104868148
(2R)-2-N-(1H-indol-4-ylmethyl)propane-1,2-diamine
CID 104868036

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine?
The IUPAC name of (2S)-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine (CID 106703552) is (2S)-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine.
What is the SMILES notation for (2S)-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine?
The canonical SMILES for (2S)-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine is CNc1ccccc1CN[C@@H](C)CN.
What is the InChIKey of (2S)-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine?
The InChIKey is PYEDRYNSHIHFNF-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19N3/c1-9(7-12)14-8-10-5-3-4-6-11(10)13-2/h3-6,9,13-14H,7-8,12H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine?
(2S)-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine has a molecular weight of 193.29 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine is sourced from PubChem (CID 106703552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).