(1S,2S)-2-N-methyl-1-phenyl-2-N-propan-2-ylpropane-1,2-diamine

C13H22N2 — CID 30815552

IUPAC(1S,2S)-2-N-methyl-1-phenyl-2-N-propan-2-ylpropane-1,2-diamine
SMILESCC(C)N(C)[C@@H](C)[C@@H](N)c1ccccc1
InChIInChI=1S/C13H22N2/c1-10(2)15(4)11(3)13(14)12-8-6-5-7-9-12/h5-11,13H,14H2,1-4H3/t11-,13+/m0/s1
InChIKeyFXZCPTXUEBVNOC-WCQYABFASA-N
MW206.33 g/mol
LogP2.42
Rot. Bonds4

About (1S,2S)-2-N-methyl-1-phenyl-2-N-propan-2-ylpropane-1,2-diamine

(1S,2S)-2-N-methyl-1-phenyl-2-N-propan-2-ylpropane-1,2-diamine (PubChem CID 30815552) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (1S,2S)-2-N-methyl-1-phenyl-2-N-propan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name(1S,2S)-2-N-methyl-1-phenyl-2-N-propan-2-ylpropane-1,2-diamine
PubChem CID30815552
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(1S,2S)-2-N-methyl-1-phenyl-2-N-propan-2-ylpropane-1,2-diamine
SMILESCC(C)N(C)[C@@H](C)[C@@H](N)c1ccccc1
InChIInChI=1S/C13H22N2/c1-10(2)15(4)11(3)13(14)12-8-6-5-7-9-12/h5-11,13H,14H2,1-4H3/t11-,13+/m0/s1
InChIKeyFXZCPTXUEBVNOC-WCQYABFASA-N
XLogP2.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-1,2-diphenyl-N'-propan-2-ylethane-1,2-diamine
CID 43211370
2-N-methyl-1-phenyl-2-N-propan-2-ylbutane-1,2-diamine
CID 43211372
2-N,2-N-diethyl-1-phenylpropane-1,2-diamine
CID 16784984
2-N,2-N-bis(2-methylpropyl)-1-phenylpropane-1,2-diamine
CID 61377500
2-N-methyl-1-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine
CID 65486259
N',N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62618546
2-N-methyl-2-N-(4-methylcyclohexyl)-1-phenylpropane-1,2-diamine
CID 61436717
2-N-methyl-1-phenyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81055828
2-N-ethyl-2-N-(2-methylpropyl)-1-phenylpropane-1,2-diamine
CID 43273646
2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylpropane-1,2-diamine
CID 61436521
N'-methyl-N'-(2-methylpropyl)-1,2-diphenylethane-1,2-diamine
CID 43272040
2-phenyl-1-pyridin-4-ylpropan-1-amine
CID 22301590

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-N-methyl-1-phenyl-2-N-propan-2-ylpropane-1,2-diamine?
The IUPAC name of (1S,2S)-2-N-methyl-1-phenyl-2-N-propan-2-ylpropane-1,2-diamine (CID 30815552) is (1S,2S)-2-N-methyl-1-phenyl-2-N-propan-2-ylpropane-1,2-diamine.
What is the SMILES notation for (1S,2S)-2-N-methyl-1-phenyl-2-N-propan-2-ylpropane-1,2-diamine?
The canonical SMILES for (1S,2S)-2-N-methyl-1-phenyl-2-N-propan-2-ylpropane-1,2-diamine is CC(C)N(C)[C@@H](C)[C@@H](N)c1ccccc1.
What is the InChIKey of (1S,2S)-2-N-methyl-1-phenyl-2-N-propan-2-ylpropane-1,2-diamine?
The InChIKey is FXZCPTXUEBVNOC-WCQYABFASA-N. The full InChI is InChI=1S/C13H22N2/c1-10(2)15(4)11(3)13(14)12-8-6-5-7-9-12/h5-11,13H,14H2,1-4H3/t11-,13+/m0/s1.
What are the key properties of (1S,2S)-2-N-methyl-1-phenyl-2-N-propan-2-ylpropane-1,2-diamine?
(1S,2S)-2-N-methyl-1-phenyl-2-N-propan-2-ylpropane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-N-methyl-1-phenyl-2-N-propan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 30815552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).