ethane;4-methyl-1-(4-methylphenyl)pentan-2-amine

C15H27N — CID 178163146

IUPACethane;4-methyl-1-(4-methylphenyl)pentan-2-amine
SMILESCC.Cc1ccc(CC(N)CC(C)C)cc1
InChIInChI=1S/C13H21N.C2H6/c1-10(2)8-13(14)9-12-6-4-11(3)5-7-12;1-2/h4-7,10,13H,8-9,14H2,1-3H3;1-2H3
InChIKeyYZWMTXPHEBBMBC-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.94
Rot. Bonds4

About ethane;4-methyl-1-(4-methylphenyl)pentan-2-amine

ethane;4-methyl-1-(4-methylphenyl)pentan-2-amine (PubChem CID 178163146) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is ethane;4-methyl-1-(4-methylphenyl)pentan-2-amine.

Molecular Properties

Compound Nameethane;4-methyl-1-(4-methylphenyl)pentan-2-amine
PubChem CID178163146
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Nameethane;4-methyl-1-(4-methylphenyl)pentan-2-amine
SMILESCC.Cc1ccc(CC(N)CC(C)C)cc1
InChIInChI=1S/C13H21N.C2H6/c1-10(2)8-13(14)9-12-6-4-11(3)5-7-12;1-2/h4-7,10,13H,8-9,14H2,1-3H3;1-2H3
InChIKeyYZWMTXPHEBBMBC-UHFFFAOYSA-N
XLogP3.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-1-(4-methylphenyl)heptan-2-amine
CID 62605792
4-(2-amino-4-methylpentyl)phenol
CID 62754924
(2S)-2-amino-3-(4-methylphenyl)propan-1-ol
CID 28804561
4-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 62505527
(2S)-4-methyl-1-[(4-methylphenyl)methoxy]pentan-2-amine
CID 35753835
4-methyl-1-(3-methylphenyl)pentan-2-amine
CID 59323309
1-(4-isothiocyanatophenyl)-4-methylpentan-2-amine
CID 137390617
3-methyl-4-(4-methylphenyl)butan-2-amine
CID 60996372
1-(2,5-dimethylphenyl)-4-methylpentan-2-amine
CID 61482046
4-(2-amino-4-methylpentyl)-2-methylphenol
CID 178163187
4-(4-methylphenyl)-1-phenylbutan-2-amine
CID 55084075
1-(4-methylphenyl)-3-piperidin-1-ylpropan-2-amine
CID 82289895

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1-(4-methylphenyl)pentan-2-amine?
The IUPAC name of ethane;4-methyl-1-(4-methylphenyl)pentan-2-amine (CID 178163146) is ethane;4-methyl-1-(4-methylphenyl)pentan-2-amine.
What is the SMILES notation for ethane;4-methyl-1-(4-methylphenyl)pentan-2-amine?
The canonical SMILES for ethane;4-methyl-1-(4-methylphenyl)pentan-2-amine is CC.Cc1ccc(CC(N)CC(C)C)cc1.
What is the InChIKey of ethane;4-methyl-1-(4-methylphenyl)pentan-2-amine?
The InChIKey is YZWMTXPHEBBMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N.C2H6/c1-10(2)8-13(14)9-12-6-4-11(3)5-7-12;1-2/h4-7,10,13H,8-9,14H2,1-3H3;1-2H3.
What are the key properties of ethane;4-methyl-1-(4-methylphenyl)pentan-2-amine?
ethane;4-methyl-1-(4-methylphenyl)pentan-2-amine has a molecular weight of 221.39 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1-(4-methylphenyl)pentan-2-amine is sourced from PubChem (CID 178163146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).