3-methyl-N-[2-(3-methylphenyl)ethyl]butan-2-amine

C14H23N — CID 62312988

IUPAC3-methyl-N-[2-(3-methylphenyl)ethyl]butan-2-amine
SMILESCc1cccc(CCNC(C)C(C)C)c1
InChIInChI=1S/C14H23N/c1-11(2)13(4)15-9-8-14-7-5-6-12(3)10-14/h5-7,10-11,13,15H,8-9H2,1-4H3
InChIKeyOGVUYLQUNPXHFX-UHFFFAOYSA-N
MW205.35 g/mol
LogP3.17
Rot. Bonds5

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

3-methyl-N-[2-(3-methylphenyl)ethyl]butan-2-amine (PubChem CID 62312988) has the molecular formula C14H23N and a molecular weight of 205.35 g/mol. Its IUPAC name is 3-methyl-N-[2-(3-methylphenyl)ethyl]butan-2-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(3-methylphenyl)ethyl]butan-2-amine
PubChem CID62312988
Molecular FormulaC14H23N
Molecular Weight205.35 g/mol
Exact Mass205.18
IUPAC Name3-methyl-N-[2-(3-methylphenyl)ethyl]butan-2-amine
SMILESCc1cccc(CCNC(C)C(C)C)c1
InChIInChI=1S/C14H23N/c1-11(2)13(4)15-9-8-14-7-5-6-12(3)10-14/h5-7,10-11,13,15H,8-9H2,1-4H3
InChIKeyOGVUYLQUNPXHFX-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-difluoro-N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 102869472
N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62315169
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
N-[2-(3-methylphenyl)ethyl]but-3-en-2-amine
CID 107906880
1-methoxy-N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62536445
N'-hydroxy-2-[2-(3-methylphenyl)ethylamino]propanimidamide
CID 77028641
1-ethylsulfonyl-N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 113350740
3-[2-(3-methylbutan-2-ylamino)ethyl]benzoic acid
CID 167950641
N-(dicyclopropylmethyl)-2-(3-methylphenyl)ethanamine
CID 55062566
1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 63477985
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 3-methyl-N-[2-(3-methylphenyl)ethyl]butan-2-amine?
The IUPAC name of 3-methyl-N-[2-(3-methylphenyl)ethyl]butan-2-amine (CID 62312988) is 3-methyl-N-[2-(3-methylphenyl)ethyl]butan-2-amine.
What is the SMILES notation for 3-methyl-N-[2-(3-methylphenyl)ethyl]butan-2-amine?
The canonical SMILES for 3-methyl-N-[2-(3-methylphenyl)ethyl]butan-2-amine is Cc1cccc(CCNC(C)C(C)C)c1.
What is the InChIKey of 3-methyl-N-[2-(3-methylphenyl)ethyl]butan-2-amine?
The InChIKey is OGVUYLQUNPXHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-11(2)13(4)15-9-8-14-7-5-6-12(3)10-14/h5-7,10-11,13,15H,8-9H2,1-4H3.
What are the key properties of 3-methyl-N-[2-(3-methylphenyl)ethyl]butan-2-amine?
3-methyl-N-[2-(3-methylphenyl)ethyl]butan-2-amine has a molecular weight of 205.35 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(3-methylphenyl)ethyl]butan-2-amine is sourced from PubChem (CID 62312988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).