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

C20H27N — CID 105101719

IUPAC1-(4-ethylphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
SMILESCCc1ccc(CC(CCc2cccc(C)c2)NC)cc1
InChIInChI=1S/C20H27N/c1-4-17-8-10-19(11-9-17)15-20(21-3)13-12-18-7-5-6-16(2)14-18/h5-11,14,20-21H,4,12-13,15H2,1-3H3
InChIKeyRVMJZLOQQVKFCB-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.32
Rot. Bonds7

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

1-(4-ethylphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine (PubChem CID 105101719) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
PubChem CID105101719
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name1-(4-ethylphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
SMILESCCc1ccc(CC(CCc2cccc(C)c2)NC)cc1
InChIInChI=1S/C20H27N/c1-4-17-8-10-19(11-9-17)15-20(21-3)13-12-18-7-5-6-16(2)14-18/h5-11,14,20-21H,4,12-13,15H2,1-3H3
InChIKeyRVMJZLOQQVKFCB-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 63527888
N,5-dimethyl-1-(3-methylphenyl)heptan-3-amine
CID 105138418
4-(3-methylphenyl)-1-phenyl-N-propylbutan-2-amine
CID 63528116
1-(2-methoxyphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 62367274
1-(2-chloro-4-fluorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105133367
1-(2,4-dichlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105132746
1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105162422
N-methyl-1,4-diphenylbutan-2-amine
CID 57128066
1-N,1-N-diethyl-3-N-methyl-4-(3-methylphenyl)butane-1,3-diamine
CID 79087525
N-methyl-1-(3-methylphenyl)-5-thiophen-3-ylpentan-3-amine
CID 105147895
N-methyl-1-(3-methylphenyl)-3-propylsulfanylpropan-2-amine
CID 65129089
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105160993

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine?
The IUPAC name of 1-(4-ethylphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine (CID 105101719) is 1-(4-ethylphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine?
The canonical SMILES for 1-(4-ethylphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine is CCc1ccc(CC(CCc2cccc(C)c2)NC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine?
The InChIKey is RVMJZLOQQVKFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-4-17-8-10-19(11-9-17)15-20(21-3)13-12-18-7-5-6-16(2)14-18/h5-11,14,20-21H,4,12-13,15H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine?
1-(4-ethylphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine is sourced from PubChem (CID 105101719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).