1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine;propane

C15H27NO — CID 142218132

IUPAC1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine;propane
SMILESCCC.COCC(C)NCc1cccc(C)c1
InChIInChI=1S/C12H19NO.C3H8/c1-10-5-4-6-12(7-10)8-13-11(2)9-14-3;1-3-2/h4-7,11,13H,8-9H2,1-3H3;3H2,1-2H3
InChIKeyOWPAKZNXSUNMRE-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.54
Rot. Bonds5

About 1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine;propane

1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine;propane (PubChem CID 142218132) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine;propane.

Molecular Properties

Compound Name1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine;propane
PubChem CID142218132
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine;propane
SMILESCCC.COCC(C)NCc1cccc(C)c1
InChIInChI=1S/C12H19NO.C3H8/c1-10-5-4-6-12(7-10)8-13-11(2)9-14-3;1-3-2/h4-7,11,13H,8-9H2,1-3H3;3H2,1-2H3
InChIKeyOWPAKZNXSUNMRE-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine bromide
CID 53314010
1-methoxy-N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62536445
(2S)-1-methoxy-N-[(3-methoxyphenyl)methyl]propan-2-amine
CID 781281
1-ethylsulfanyl-N-[(3-methylphenyl)methyl]propan-2-amine
CID 115660780
(2S)-1-methoxy-N-[(3-nitrophenyl)methyl]propan-2-amine
CID 872134
3-[(3-methylphenyl)methylamino]butan-1-ol
CID 78997783
2-methyl-N-[(3-methylphenyl)methyl]pentan-3-amine
CID 43768749
(4R)-4-[(3-methylphenyl)methylamino]pentan-1-ol
CID 97051534
methyl 2-[(3-methylphenyl)methylamino]propanoate
CID 60691173
4-[(3-methylphenyl)methylamino]pentan-1-ol
CID 75356495
N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine
CID 61003374
N"-[(3-methylphenyl)methyl]methanetriamine
CID 144552123

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine;propane?
The IUPAC name of 1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine;propane (CID 142218132) is 1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine;propane.
What is the SMILES notation for 1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine;propane?
The canonical SMILES for 1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine;propane is CCC.COCC(C)NCc1cccc(C)c1.
What is the InChIKey of 1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine;propane?
The InChIKey is OWPAKZNXSUNMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.C3H8/c1-10-5-4-6-12(7-10)8-13-11(2)9-14-3;1-3-2/h4-7,11,13H,8-9H2,1-3H3;3H2,1-2H3.
What are the key properties of 1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine;propane?
1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine;propane has a molecular weight of 237.39 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine;propane is sourced from PubChem (CID 142218132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).