1-methoxy-N-[2-(3-methylphenyl)ethyl]propan-2-amine

C13H21NO — CID 62536445

IUPAC1-methoxy-N-[2-(3-methylphenyl)ethyl]propan-2-amine
SMILESCOCC(C)NCCc1cccc(C)c1
InChIInChI=1S/C13H21NO/c1-11-5-4-6-13(9-11)7-8-14-12(2)10-15-3/h4-6,9,12,14H,7-8,10H2,1-3H3
InChIKeyDKSOMWCLNXZYAW-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.16
Rot. Bonds6

About 1-methoxy-N-[2-(3-methylphenyl)ethyl]propan-2-amine

1-methoxy-N-[2-(3-methylphenyl)ethyl]propan-2-amine (PubChem CID 62536445) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-methoxy-N-[2-(3-methylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[2-(3-methylphenyl)ethyl]propan-2-amine
PubChem CID62536445
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-methoxy-N-[2-(3-methylphenyl)ethyl]propan-2-amine
SMILESCOCC(C)NCCc1cccc(C)c1
InChIInChI=1S/C13H21NO/c1-11-5-4-6-13(9-11)7-8-14-12(2)10-15-3/h4-6,9,12,14H,7-8,10H2,1-3H3
InChIKeyDKSOMWCLNXZYAW-UHFFFAOYSA-N
XLogP2.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.16
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
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine;propane
CID 142218132
(2R)-1-methoxy-N-[2-(4-methylphenyl)ethyl]propan-2-amine
CID 97074820
N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62315169
1-ethylsulfonyl-N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 113350740
3-methyl-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 62312988
N-[3-(3-chlorophenyl)propyl]-1-methoxypropan-2-amine
CID 119139076
1,1-difluoro-N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 102869472
1-(2-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62315352
N-[2-(3-methylphenyl)ethyl]but-3-en-2-amine
CID 107906880
1-(1-methoxypropan-2-yl)-2-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide
CID 111077790

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[2-(3-methylphenyl)ethyl]propan-2-amine?
The IUPAC name of 1-methoxy-N-[2-(3-methylphenyl)ethyl]propan-2-amine (CID 62536445) is 1-methoxy-N-[2-(3-methylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-[2-(3-methylphenyl)ethyl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-[2-(3-methylphenyl)ethyl]propan-2-amine is COCC(C)NCCc1cccc(C)c1.
What is the InChIKey of 1-methoxy-N-[2-(3-methylphenyl)ethyl]propan-2-amine?
The InChIKey is DKSOMWCLNXZYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11-5-4-6-13(9-11)7-8-14-12(2)10-15-3/h4-6,9,12,14H,7-8,10H2,1-3H3.
What are the key properties of 1-methoxy-N-[2-(3-methylphenyl)ethyl]propan-2-amine?
1-methoxy-N-[2-(3-methylphenyl)ethyl]propan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[2-(3-methylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 62536445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).