5-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-2-amine

C16H27N — CID 81373170

IUPAC5-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-2-amine
SMILESCc1ccccc1[C@@H](C)NC(C)CCC(C)C
InChIInChI=1S/C16H27N/c1-12(2)10-11-14(4)17-15(5)16-9-7-6-8-13(16)3/h6-9,12,14-15,17H,10-11H2,1-5H3/t14?,15-/m1/s1
InChIKeyVRGLTWVMHUGSKJ-YSSOQSIOSA-N
MW233.40 g/mol
LogP4.47
Rot. Bonds6

About 5-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-2-amine

5-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-2-amine (PubChem CID 81373170) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 5-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-2-amine
PubChem CID81373170
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name5-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-2-amine
SMILESCc1ccccc1[C@@H](C)NC(C)CCC(C)C
InChIInChI=1S/C16H27N/c1-12(2)10-11-14(4)17-15(5)16-9-7-6-8-13(16)3/h6-9,12,14-15,17H,10-11H2,1-5H3/t14?,15-/m1/s1
InChIKeyVRGLTWVMHUGSKJ-YSSOQSIOSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine
CID 81375675
N-[1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine
CID 43096454
N-[(1S)-1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine
CID 81374312
N-[1-(2-methylphenyl)ethyl]heptan-2-amine
CID 43109011
N-[1-(2-methylphenyl)ethyl]octan-2-amine
CID 43129972
N-[1-(2-methylphenyl)ethyl]nonan-2-amine
CID 43129973
2,6-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]heptan-4-amine
CID 28511998
N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 81396911
N-[(1S)-1-(2-methylphenyl)ethyl]-1-phenylpropan-2-amine
CID 81375017
4-(furan-2-yl)-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine
CID 81374293
N-[1-(2-methylphenyl)ethyl]hexan-3-amine
CID 62117976
5-methyl-N-[(1R)-1-phenylethyl]hexan-2-amine
CID 81350765

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-2-amine?
The IUPAC name of 5-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-2-amine (CID 81373170) is 5-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-2-amine.
What is the SMILES notation for 5-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-2-amine?
The canonical SMILES for 5-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-2-amine is Cc1ccccc1[C@@H](C)NC(C)CCC(C)C.
What is the InChIKey of 5-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-2-amine?
The InChIKey is VRGLTWVMHUGSKJ-YSSOQSIOSA-N. The full InChI is InChI=1S/C16H27N/c1-12(2)10-11-14(4)17-15(5)16-9-7-6-8-13(16)3/h6-9,12,14-15,17H,10-11H2,1-5H3/t14?,15-/m1/s1.
What are the key properties of 5-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-2-amine?
5-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-2-amine has a molecular weight of 233.40 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-2-amine is sourced from PubChem (CID 81373170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).