4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine

C20H27N — CID 63477631

IUPAC4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
SMILESCc1cccc(CCNC(C)CCc2cccc(C)c2)c1
InChIInChI=1S/C20H27N/c1-16-6-4-8-19(14-16)11-10-18(3)21-13-12-20-9-5-7-17(2)15-20/h4-9,14-15,18,21H,10-13H2,1-3H3
InChIKeyCEYVMGXEAPDHTP-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.46
Rot. Bonds7

About 4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine

4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine (PubChem CID 63477631) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine.

Molecular Properties

Compound Name4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
PubChem CID63477631
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
SMILESCc1cccc(CCNC(C)CCc2cccc(C)c2)c1
InChIInChI=1S/C20H27N/c1-16-6-4-8-19(14-16)11-10-18(3)21-13-12-20-9-5-7-17(2)15-20/h4-9,14-15,18,21H,10-13H2,1-3H3
InChIKeyCEYVMGXEAPDHTP-UHFFFAOYSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine
CID 63420680
N-(3-ethylsulfanylpropyl)-4-(3-methylphenyl)butan-2-amine
CID 114247868
4-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 62312823
N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62315169
3-[4-(3-methylphenyl)butan-2-ylamino]propanoic acid
CID 61171891
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329
2-[4-(3-methylphenyl)butan-2-ylamino]ethanesulfonamide
CID 61169942
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(3-methylphenyl)butan-2-amine
CID 106042005
4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine
CID 63420838
1-methoxy-N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62536445
N-(2-cyclopentylethyl)-4-(3-methylphenyl)butan-2-amine
CID 63450215
4-(3-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 63238721

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine?
The IUPAC name of 4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine (CID 63477631) is 4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine.
What is the SMILES notation for 4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine?
The canonical SMILES for 4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine is Cc1cccc(CCNC(C)CCc2cccc(C)c2)c1.
What is the InChIKey of 4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine?
The InChIKey is CEYVMGXEAPDHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-16-6-4-8-19(14-16)11-10-18(3)21-13-12-20-9-5-7-17(2)15-20/h4-9,14-15,18,21H,10-13H2,1-3H3.
What are the key properties of 4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine?
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine is sourced from PubChem (CID 63477631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).