(2S)-3-cyclopropyl-1-N-[(3-methoxyphenyl)methyl]-1-N-methylpropane-1,2-diamine

C15H24N2O — CID 112736512

IUPAC(2S)-3-cyclopropyl-1-N-[(3-methoxyphenyl)methyl]-1-N-methylpropane-1,2-diamine
SMILESCOc1cccc(CN(C)C[C@@H](N)CC2CC2)c1
InChIInChI=1S/C15H24N2O/c1-17(11-14(16)8-12-6-7-12)10-13-4-3-5-15(9-13)18-2/h3-5,9,12,14H,6-8,10-11,16H2,1-2H3/t14-/m0/s1
InChIKeyUURWUSWQNPVMAU-AWEZNQCLSA-N
MW248.37 g/mol
LogP2.25
Rot. Bonds7

About (2S)-3-cyclopropyl-1-N-[(3-methoxyphenyl)methyl]-1-N-methylpropane-1,2-diamine

(2S)-3-cyclopropyl-1-N-[(3-methoxyphenyl)methyl]-1-N-methylpropane-1,2-diamine (PubChem CID 112736512) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (2S)-3-cyclopropyl-1-N-[(3-methoxyphenyl)methyl]-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name(2S)-3-cyclopropyl-1-N-[(3-methoxyphenyl)methyl]-1-N-methylpropane-1,2-diamine
PubChem CID112736512
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(2S)-3-cyclopropyl-1-N-[(3-methoxyphenyl)methyl]-1-N-methylpropane-1,2-diamine
SMILESCOc1cccc(CN(C)C[C@@H](N)CC2CC2)c1
InChIInChI=1S/C15H24N2O/c1-17(11-14(16)8-12-6-7-12)10-13-4-3-5-15(9-13)18-2/h3-5,9,12,14H,6-8,10-11,16H2,1-2H3/t14-/m0/s1
InChIKeyUURWUSWQNPVMAU-AWEZNQCLSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-ethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 63913879
1-(4-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 107519984
3-[(3-methoxyphenyl)methyl-methylamino]propane-1,2-diol
CID 78907088
N-(dicyclopropylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62558489
N-[(3-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 129034350
(2S)-1-[(3-methoxyphenyl)methyl-methylamino]-3-propan-2-yloxypropan-2-ol
CID 95357888
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
2-cyclopropyl-1-(3-methoxyphenyl)ethanamine
CID 55295548
N'-[(3-methoxyphenyl)methyl]-N'-methylbut-2-ene-1,4-diamine
CID 77110782
1-N-[(3-methoxyphenyl)methyl]-1-N,4,4-trimethylpentane-1,3-diamine
CID 55098188
1-cyclopropyl-2-[(3-methoxyphenyl)methyl-methylamino]ethanone
CID 63912379
1-N-[(3-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine
CID 79468311

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopropyl-1-N-[(3-methoxyphenyl)methyl]-1-N-methylpropane-1,2-diamine?
The IUPAC name of (2S)-3-cyclopropyl-1-N-[(3-methoxyphenyl)methyl]-1-N-methylpropane-1,2-diamine (CID 112736512) is (2S)-3-cyclopropyl-1-N-[(3-methoxyphenyl)methyl]-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for (2S)-3-cyclopropyl-1-N-[(3-methoxyphenyl)methyl]-1-N-methylpropane-1,2-diamine?
The canonical SMILES for (2S)-3-cyclopropyl-1-N-[(3-methoxyphenyl)methyl]-1-N-methylpropane-1,2-diamine is COc1cccc(CN(C)C[C@@H](N)CC2CC2)c1.
What is the InChIKey of (2S)-3-cyclopropyl-1-N-[(3-methoxyphenyl)methyl]-1-N-methylpropane-1,2-diamine?
The InChIKey is UURWUSWQNPVMAU-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2O/c1-17(11-14(16)8-12-6-7-12)10-13-4-3-5-15(9-13)18-2/h3-5,9,12,14H,6-8,10-11,16H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-3-cyclopropyl-1-N-[(3-methoxyphenyl)methyl]-1-N-methylpropane-1,2-diamine?
(2S)-3-cyclopropyl-1-N-[(3-methoxyphenyl)methyl]-1-N-methylpropane-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopropyl-1-N-[(3-methoxyphenyl)methyl]-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 112736512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).