(1S,2S)-2-N-methyl-1-phenylpropane-1,2-diamine

C10H16N2 — CID 6711442

IUPAC(1S,2S)-2-N-methyl-1-phenylpropane-1,2-diamine
SMILESCN[C@@H](C)[C@@H](N)c1ccccc1
InChIInChI=1S/C10H16N2/c1-8(12-2)10(11)9-6-4-3-5-7-9/h3-8,10,12H,11H2,1-2H3/t8-,10+/m0/s1
InChIKeyISIJGZLHZALNDU-WCBMZHEXSA-N
MW164.25 g/mol
LogP1.29
Rot. Bonds3

About (1S,2S)-2-N-methyl-1-phenylpropane-1,2-diamine

(1S,2S)-2-N-methyl-1-phenylpropane-1,2-diamine (PubChem CID 6711442) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (1S,2S)-2-N-methyl-1-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name(1S,2S)-2-N-methyl-1-phenylpropane-1,2-diamine
PubChem CID6711442
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(1S,2S)-2-N-methyl-1-phenylpropane-1,2-diamine
SMILESCN[C@@H](C)[C@@H](N)c1ccccc1
InChIInChI=1S/C10H16N2/c1-8(12-2)10(11)9-6-4-3-5-7-9/h3-8,10,12H,11H2,1-2H3/t8-,10+/m0/s1
InChIKeyISIJGZLHZALNDU-WCBMZHEXSA-N
XLogP1.29
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R)-2-N-methyl-1-phenylpropane-1,2-diamine
CID 59302389
(1S,2R)-1-(4-methoxyphenyl)-2-N-methylpropane-1,2-diamine
CID 163535290
(1S,2R)-2-amino-1-phenylpropan-1-ol;(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol
CID 69186898
(1S,2S)-1-N,2-N-dimethyl-1-phenylpropane-1,2-diamine;hydrochloride
CID 11969836
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 68629848
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfane
CID 162055565
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;2-(methylamino)-1-phenylpropan-1-ol;hydrate
CID 67711321
copper;(1R,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 90401537
lithium (1S,2R)-2-(methylamino)-1-phenylpropan-1-olate
CID 102008925
2,6-dimethyl-1-phenylheptan-1-amine
CID 104845216
ethane;N-methyl-1-phenylethanamine
CID 91444453
ethane;(1R)-1-phenylethanamine
CID 142977390

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-N-methyl-1-phenylpropane-1,2-diamine?
The IUPAC name of (1S,2S)-2-N-methyl-1-phenylpropane-1,2-diamine (CID 6711442) is (1S,2S)-2-N-methyl-1-phenylpropane-1,2-diamine.
What is the SMILES notation for (1S,2S)-2-N-methyl-1-phenylpropane-1,2-diamine?
The canonical SMILES for (1S,2S)-2-N-methyl-1-phenylpropane-1,2-diamine is CN[C@@H](C)[C@@H](N)c1ccccc1.
What is the InChIKey of (1S,2S)-2-N-methyl-1-phenylpropane-1,2-diamine?
The InChIKey is ISIJGZLHZALNDU-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H16N2/c1-8(12-2)10(11)9-6-4-3-5-7-9/h3-8,10,12H,11H2,1-2H3/t8-,10+/m0/s1.
What are the key properties of (1S,2S)-2-N-methyl-1-phenylpropane-1,2-diamine?
(1S,2S)-2-N-methyl-1-phenylpropane-1,2-diamine has a molecular weight of 164.25 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-N-methyl-1-phenylpropane-1,2-diamine is sourced from PubChem (CID 6711442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).