2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-1-amine

C15H25N — CID 81350261

IUPAC2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-1-amine
SMILESCCCC(C)CN[C@H](C)c1ccc(C)cc1
InChIInChI=1S/C15H25N/c1-5-6-13(3)11-16-14(4)15-9-7-12(2)8-10-15/h7-10,13-14,16H,5-6,11H2,1-4H3/t13?,14-/m1/s1
InChIKeyKHQYFKKFKUNMIJ-ARLHGKGLSA-N
MW219.37 g/mol
LogP4.08
Rot. Bonds6

About 2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-1-amine

2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-1-amine (PubChem CID 81350261) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-1-amine
PubChem CID81350261
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-1-amine
SMILESCCCC(C)CN[C@H](C)c1ccc(C)cc1
InChIInChI=1S/C15H25N/c1-5-6-13(3)11-16-14(4)15-9-7-12(2)8-10-15/h7-10,13-14,16H,5-6,11H2,1-4H3/t13?,14-/m1/s1
InChIKeyKHQYFKKFKUNMIJ-ARLHGKGLSA-N
XLogP4.08
TPSA12.03 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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpentan-1-amine
CID 81351129
2-methyl-3-[1-(4-methylphenyl)ethylamino]propan-1-ol
CID 65034209
N-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-1-amine
CID 63448800
2-ethoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine
CID 115724375
2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pentan-1-amine
CID 43684897
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpentan-1-amine
CID 43720112
3-[1-(2-methylpentylamino)ethyl]phenol
CID 43748423
1-methyl-4-(5-methyloctan-2-yl)benzene
CID 143286559
N-[1-(4-methylphenyl)ethyl]nonan-1-amine
CID 63491901
N-[1-(4-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 43097751
N-[1-(4-methylphenyl)ethyl]octan-1-amine
CID 5158361
3-methyl-1-(4-methylphenyl)-N-propylhexan-1-amine
CID 63412327

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-1-amine?
The IUPAC name of 2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-1-amine (CID 81350261) is 2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-1-amine.
What is the SMILES notation for 2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-1-amine?
The canonical SMILES for 2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-1-amine is CCCC(C)CN[C@H](C)c1ccc(C)cc1.
What is the InChIKey of 2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-1-amine?
The InChIKey is KHQYFKKFKUNMIJ-ARLHGKGLSA-N. The full InChI is InChI=1S/C15H25N/c1-5-6-13(3)11-16-14(4)15-9-7-12(2)8-10-15/h7-10,13-14,16H,5-6,11H2,1-4H3/t13?,14-/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-1-amine?
2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-1-amine is sourced from PubChem (CID 81350261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).