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

C14H23N — CID 79436258

IUPAC4-methyl-2-(4-methylphenyl)hexan-1-amine
SMILESCCC(C)CC(CN)c1ccc(C)cc1
InChIInChI=1S/C14H23N/c1-4-11(2)9-14(10-15)13-7-5-12(3)6-8-13/h5-8,11,14H,4,9-10,15H2,1-3H3
InChIKeyPMPRBNGESNKBPB-UHFFFAOYSA-N
MW205.35 g/mol
LogP3.47
Rot. Bonds5

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

4-methyl-2-(4-methylphenyl)hexan-1-amine (PubChem CID 79436258) has the molecular formula C14H23N and a molecular weight of 205.35 g/mol. Its IUPAC name is 4-methyl-2-(4-methylphenyl)hexan-1-amine.

Molecular Properties

Compound Name4-methyl-2-(4-methylphenyl)hexan-1-amine
PubChem CID79436258
Molecular FormulaC14H23N
Molecular Weight205.35 g/mol
Exact Mass205.18
IUPAC Name4-methyl-2-(4-methylphenyl)hexan-1-amine
SMILESCCC(C)CC(CN)c1ccc(C)cc1
InChIInChI=1S/C14H23N/c1-4-11(2)9-14(10-15)13-7-5-12(3)6-8-13/h5-8,11,14H,4,9-10,15H2,1-3H3
InChIKeyPMPRBNGESNKBPB-UHFFFAOYSA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluorophenyl)-4-methylhexan-1-amine
CID 79441509
4-methyl-2-(4-methylphenyl)hexan-1-ol
CID 79436224
1,4-bis[3-methyl-1-(4-methylphenyl)pentyl]benzene
CID 23499732
4-(4-methylphenyl)hexan-1-amine
CID 83930823
N-(1-aminopropan-2-yl)-N-methyl-3-(4-methylphenyl)pentanamide
CID 119581659
1-methyl-4-[2-(4-propan-2-ylphenyl)butyl]benzene
CID 91475154
N-(1-amino-4-methylpentan-2-yl)-3-(4-methylphenyl)pentanamide
CID 119585731
N-(1-aminopropan-2-yl)-N-methyl-3-(4-methylphenyl)pentanamide;hydrochloride
CID 119581658
1-[4,6-bis(4-methylphenyl)heptan-2-yl]-4-methylbenzene
CID 164713773
ethane;methane;5-methylheptan-3-ylbenzene
CID 168921698
N-methyl-2-(4-methylphenyl)butan-1-amine
CID 64984808
1-amino-4-ethyl-2-(4-methylphenyl)hexan-3-ol
CID 65187944

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylphenyl)hexan-1-amine?
The IUPAC name of 4-methyl-2-(4-methylphenyl)hexan-1-amine (CID 79436258) is 4-methyl-2-(4-methylphenyl)hexan-1-amine.
What is the SMILES notation for 4-methyl-2-(4-methylphenyl)hexan-1-amine?
The canonical SMILES for 4-methyl-2-(4-methylphenyl)hexan-1-amine is CCC(C)CC(CN)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-2-(4-methylphenyl)hexan-1-amine?
The InChIKey is PMPRBNGESNKBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-4-11(2)9-14(10-15)13-7-5-12(3)6-8-13/h5-8,11,14H,4,9-10,15H2,1-3H3.
What are the key properties of 4-methyl-2-(4-methylphenyl)hexan-1-amine?
4-methyl-2-(4-methylphenyl)hexan-1-amine has a molecular weight of 205.35 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylphenyl)hexan-1-amine is sourced from PubChem (CID 79436258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).