(2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine

C11H18N2O — CID 28772492

IUPAC(2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine
SMILESCOc1cccc(N(C)C[C@H](C)N)c1
InChIInChI=1S/C11H18N2O/c1-9(12)8-13(2)10-5-4-6-11(7-10)14-3/h4-7,9H,8,12H2,1-3H3/t9-/m0/s1
InChIKeyLOLQZXQIFGVFNL-VIFPVBQESA-N
MW194.28 g/mol
LogP1.48
Rot. Bonds4

About (2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine

(2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine (PubChem CID 28772492) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine
PubChem CID28772492
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine
SMILESCOc1cccc(N(C)C[C@H](C)N)c1
InChIInChI=1S/C11H18N2O/c1-9(12)8-13(2)10-5-4-6-11(7-10)14-3/h4-7,9H,8,12H2,1-3H3/t9-/m0/s1
InChIKeyLOLQZXQIFGVFNL-VIFPVBQESA-N
XLogP1.48
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3-methoxyphenyl)-1-N-methyl-3-phenylpropane-1,2-diamine
CID 62004171
1-N-(3-methoxyphenyl)-1-N,2,2-trimethylbutane-1,3-diamine
CID 66454499
5-methoxy-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine
CID 81101880
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
(2S)-1-N-methyl-1-N-phenylpropane-1,2-diamine
CID 22689433
1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 62003980
N'-(3-methoxyphenyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291259
2-N-ethyl-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine
CID 62041659
3,3,3-trifluoro-2-[(3-methoxy-N-methylanilino)methyl]propanimidamide
CID 103370690
4-(3-methoxy-N-methylanilino)-2-(propan-2-ylamino)butanamide
CID 63054512
N'-(3-methoxyphenyl)-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62618937
1-cyclohexyl-N'-(3-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine
CID 104745745

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of (2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine (CID 28772492) is (2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for (2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine is COc1cccc(N(C)C[C@H](C)N)c1.
What is the InChIKey of (2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine?
The InChIKey is LOLQZXQIFGVFNL-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(12)8-13(2)10-5-4-6-11(7-10)14-3/h4-7,9H,8,12H2,1-3H3/t9-/m0/s1.
What are the key properties of (2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine?
(2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 28772492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).