N-ethyl-3-methyl-4-(2-methylphenyl)butan-1-amine

C14H23N — CID 81019266

IUPACN-ethyl-3-methyl-4-(2-methylphenyl)butan-1-amine
SMILESCCNCCC(C)Cc1ccccc1C
InChIInChI=1S/C14H23N/c1-4-15-10-9-12(2)11-14-8-6-5-7-13(14)3/h5-8,12,15H,4,9-11H2,1-3H3
InChIKeyZLCGZDJKNADVOY-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.17
Rot. Bonds6

About N-ethyl-3-methyl-4-(2-methylphenyl)butan-1-amine

N-ethyl-3-methyl-4-(2-methylphenyl)butan-1-amine (PubChem CID 81019266) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N-ethyl-3-methyl-4-(2-methylphenyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-4-(2-methylphenyl)butan-1-amine
PubChem CID81019266
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN-ethyl-3-methyl-4-(2-methylphenyl)butan-1-amine
SMILESCCNCCC(C)Cc1ccccc1C
InChIInChI=1S/C14H23N/c1-4-15-10-9-12(2)11-14-8-6-5-7-13(14)3/h5-8,12,15H,4,9-11H2,1-3H3
InChIKeyZLCGZDJKNADVOY-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine
CID 105376275
4-methyl-5-(2-methylphenyl)pentanal
CID 173385823
N-ethyl-1-(2-methylphenyl)propan-2-amine
CID 14025646
2-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine
CID 115203419
N-ethyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine
CID 62528305
N-ethyl-2-[(2-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 62514748
N-ethyl-3-methyl-1-(2-methylphenyl)butan-2-amine
CID 60818877
N-[(2-methylphenyl)methyl]ethanamine;hydrochloride
CID 17293898
3-(ethylamino)-2-methyl-N-[1-(2-methylphenyl)propan-2-yl]propanamide
CID 62851503
methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493
N-ethyl-4-methyl-5-(2-methylphenyl)pent-3-en-1-amine
CID 79599356
N-[2-(ethylamino)ethyl]-2-(2-methylphenyl)acetamide
CID 62658588

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-4-(2-methylphenyl)butan-1-amine?
The IUPAC name of N-ethyl-3-methyl-4-(2-methylphenyl)butan-1-amine (CID 81019266) is N-ethyl-3-methyl-4-(2-methylphenyl)butan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-4-(2-methylphenyl)butan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-4-(2-methylphenyl)butan-1-amine is CCNCCC(C)Cc1ccccc1C.
What is the InChIKey of N-ethyl-3-methyl-4-(2-methylphenyl)butan-1-amine?
The InChIKey is ZLCGZDJKNADVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-4-15-10-9-12(2)11-14-8-6-5-7-13(14)3/h5-8,12,15H,4,9-11H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-4-(2-methylphenyl)butan-1-amine?
N-ethyl-3-methyl-4-(2-methylphenyl)butan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-4-(2-methylphenyl)butan-1-amine is sourced from PubChem (CID 81019266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).