4-methyl-1-(4-methylphenyl)heptan-2-amine

C15H25N — CID 62605792

IUPAC4-methyl-1-(4-methylphenyl)heptan-2-amine
SMILESCCCC(C)CC(N)Cc1ccc(C)cc1
InChIInChI=1S/C15H25N/c1-4-5-13(3)10-15(16)11-14-8-6-12(2)7-9-14/h6-9,13,15H,4-5,10-11,16H2,1-3H3
InChIKeyLNIJANOSEFKIFT-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.69
Rot. Bonds6

About 4-methyl-1-(4-methylphenyl)heptan-2-amine

4-methyl-1-(4-methylphenyl)heptan-2-amine (PubChem CID 62605792) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 4-methyl-1-(4-methylphenyl)heptan-2-amine.

Molecular Properties

Compound Name4-methyl-1-(4-methylphenyl)heptan-2-amine
PubChem CID62605792
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name4-methyl-1-(4-methylphenyl)heptan-2-amine
SMILESCCCC(C)CC(N)Cc1ccc(C)cc1
InChIInChI=1S/C15H25N/c1-4-5-13(3)10-15(16)11-14-8-6-12(2)7-9-14/h6-9,13,15H,4-5,10-11,16H2,1-3H3
InChIKeyLNIJANOSEFKIFT-UHFFFAOYSA-N
XLogP3.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;4-methyl-1-(4-methylphenyl)pentan-2-amine
CID 178163146
4-methyl-2-[(4-methylphenyl)methyl]heptanoic acid
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(2S)-2-amino-3-(4-methylphenyl)propan-1-ol
CID 28804561
1-(4-chlorophenyl)pentan-2-amine
CID 60820343
N-[4-methyl-2-[(4-methylphenyl)methyl]heptyl]cyclopropanamine
CID 63522593
1-methyl-4-[(2R)-2-methylbutyl]benzene
CID 59123946
4-(2-amino-4-methylpentyl)phenol
CID 62754924
5-methyloctan-3-amine
CID 62599907
3-methyl-4-(4-methylphenyl)butan-2-amine
CID 60996372
1-(4-iodophenyl)pentan-2-amine
CID 65478921
(2S)-1-(4-bromophenyl)pentan-2-amine
CID 104932340

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methylphenyl)heptan-2-amine?
The IUPAC name of 4-methyl-1-(4-methylphenyl)heptan-2-amine (CID 62605792) is 4-methyl-1-(4-methylphenyl)heptan-2-amine.
What is the SMILES notation for 4-methyl-1-(4-methylphenyl)heptan-2-amine?
The canonical SMILES for 4-methyl-1-(4-methylphenyl)heptan-2-amine is CCCC(C)CC(N)Cc1ccc(C)cc1.
What is the InChIKey of 4-methyl-1-(4-methylphenyl)heptan-2-amine?
The InChIKey is LNIJANOSEFKIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-4-5-13(3)10-15(16)11-14-8-6-12(2)7-9-14/h6-9,13,15H,4-5,10-11,16H2,1-3H3.
What are the key properties of 4-methyl-1-(4-methylphenyl)heptan-2-amine?
4-methyl-1-(4-methylphenyl)heptan-2-amine has a molecular weight of 219.37 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methylphenyl)heptan-2-amine is sourced from PubChem (CID 62605792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).