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

C12H19N — CID 62315169

IUPACN-[2-(3-methylphenyl)ethyl]propan-2-amine
SMILESCc1cccc(CCNC(C)C)c1
InChIInChI=1S/C12H19N/c1-10(2)13-8-7-12-6-4-5-11(3)9-12/h4-6,9-10,13H,7-8H2,1-3H3
InChIKeyMFEYPHKAANISHW-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.54
Rot. Bonds4

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

N-[2-(3-methylphenyl)ethyl]propan-2-amine (PubChem CID 62315169) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)ethyl]propan-2-amine
PubChem CID62315169
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-[2-(3-methylphenyl)ethyl]propan-2-amine
SMILESCc1cccc(CCNC(C)C)c1
InChIInChI=1S/C12H19N/c1-10(2)13-8-7-12-6-4-5-11(3)9-12/h4-6,9-10,13H,7-8H2,1-3H3
InChIKeyMFEYPHKAANISHW-UHFFFAOYSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 62312988
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
1,1-difluoro-N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 102869472
N-[2-(3-methylphenyl)ethyl]but-3-en-2-amine
CID 107906880
N'-methyl-N'-[(3-methylphenyl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 61411868
1-methoxy-N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62536445
1-ethylsulfonyl-N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 113350740
N-(dicyclopropylmethyl)-2-(3-methylphenyl)ethanamine
CID 55062566
1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 63477985
4-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 62312823
N-[2-(3-methylphenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 62314433
1-(2,5-dimethylfuran-3-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62314080

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(3-methylphenyl)ethyl]propan-2-amine (CID 62315169) is N-[2-(3-methylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(3-methylphenyl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(3-methylphenyl)ethyl]propan-2-amine is Cc1cccc(CCNC(C)C)c1.
What is the InChIKey of N-[2-(3-methylphenyl)ethyl]propan-2-amine?
The InChIKey is MFEYPHKAANISHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-10(2)13-8-7-12-6-4-5-11(3)9-12/h4-6,9-10,13H,7-8H2,1-3H3.
What are the key properties of N-[2-(3-methylphenyl)ethyl]propan-2-amine?
N-[2-(3-methylphenyl)ethyl]propan-2-amine has a molecular weight of 177.29 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 62315169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).