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

C14H23N — CID 61077626

IUPAC5-methyl-1-(2-methylphenyl)hexan-2-amine
SMILESCc1ccccc1CC(N)CCC(C)C
InChIInChI=1S/C14H23N/c1-11(2)8-9-14(15)10-13-7-5-4-6-12(13)3/h4-7,11,14H,8-10,15H2,1-3H3
InChIKeyZAVVWMPUFHBNDT-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.30
Rot. Bonds5

About 5-methyl-1-(2-methylphenyl)hexan-2-amine

5-methyl-1-(2-methylphenyl)hexan-2-amine (PubChem CID 61077626) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 5-methyl-1-(2-methylphenyl)hexan-2-amine.

Molecular Properties

Compound Name5-methyl-1-(2-methylphenyl)hexan-2-amine
PubChem CID61077626
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name5-methyl-1-(2-methylphenyl)hexan-2-amine
SMILESCc1ccccc1CC(N)CCC(C)C
InChIInChI=1S/C14H23N/c1-11(2)8-9-14(15)10-13-7-5-4-6-12(13)3/h4-7,11,14H,8-10,15H2,1-3H3
InChIKeyZAVVWMPUFHBNDT-UHFFFAOYSA-N
XLogP3.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-(2-methylphenyl)heptane-1,6-diamine
CID 154389351
4-ethylsulfonyl-1-(2-methylphenyl)butan-2-amine
CID 65017432
methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493
1-[2-(bromomethyl)-5-methylhexyl]-2-methylbenzene
CID 66040938
1-(2-methylphenyl)-4-pyridin-4-ylbutan-2-amine
CID 105092013
1-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine
CID 63774241
1-(2-chlorophenyl)-4-(2-methylphenyl)butan-2-amine
CID 62367436
1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine
CID 114347770
(3R)-3-amino-4-(2-methylphenyl)butanoic acid;hydrochloride
CID 24820268
N,6-dimethyl-1-(2-methylphenyl)heptan-2-amine
CID 83161242
4-amino-N-(3,4-dimethylphenyl)-5-(2-methylphenyl)pentanamide
CID 54303561
1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 63951754

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylphenyl)hexan-2-amine?
The IUPAC name of 5-methyl-1-(2-methylphenyl)hexan-2-amine (CID 61077626) is 5-methyl-1-(2-methylphenyl)hexan-2-amine.
What is the SMILES notation for 5-methyl-1-(2-methylphenyl)hexan-2-amine?
The canonical SMILES for 5-methyl-1-(2-methylphenyl)hexan-2-amine is Cc1ccccc1CC(N)CCC(C)C.
What is the InChIKey of 5-methyl-1-(2-methylphenyl)hexan-2-amine?
The InChIKey is ZAVVWMPUFHBNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-11(2)8-9-14(15)10-13-7-5-4-6-12(13)3/h4-7,11,14H,8-10,15H2,1-3H3.
What are the key properties of 5-methyl-1-(2-methylphenyl)hexan-2-amine?
5-methyl-1-(2-methylphenyl)hexan-2-amine has a molecular weight of 205.34 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylphenyl)hexan-2-amine is sourced from PubChem (CID 61077626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).