(2S,3S)-3-methyl-N-(2-phenylethyl)pentan-2-amine

C14H23N — CID 28615648

IUPAC(2S,3S)-3-methyl-N-(2-phenylethyl)pentan-2-amine
SMILESCC[C@H](C)[C@H](C)NCCc1ccccc1
InChIInChI=1S/C14H23N/c1-4-12(2)13(3)15-11-10-14-8-6-5-7-9-14/h5-9,12-13,15H,4,10-11H2,1-3H3/t12-,13-/m0/s1
InChIKeyJKCQWOIIBNUNIJ-STQMWFEESA-N
MW205.35 g/mol
LogP3.25
Rot. Bonds6

About (2S,3S)-3-methyl-N-(2-phenylethyl)pentan-2-amine

(2S,3S)-3-methyl-N-(2-phenylethyl)pentan-2-amine (PubChem CID 28615648) has the molecular formula C14H23N and a molecular weight of 205.35 g/mol. Its IUPAC name is (2S,3S)-3-methyl-N-(2-phenylethyl)pentan-2-amine.

Molecular Properties

Compound Name(2S,3S)-3-methyl-N-(2-phenylethyl)pentan-2-amine
PubChem CID28615648
Molecular FormulaC14H23N
Molecular Weight205.35 g/mol
Exact Mass205.18
IUPAC Name(2S,3S)-3-methyl-N-(2-phenylethyl)pentan-2-amine
SMILESCC[C@H](C)[C@H](C)NCCc1ccccc1
InChIInChI=1S/C14H23N/c1-4-12(2)13(3)15-11-10-14-8-6-5-7-9-14/h5-9,12-13,15H,4,10-11H2,1-3H3/t12-,13-/m0/s1
InChIKeyJKCQWOIIBNUNIJ-STQMWFEESA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-N-(2-phenylethyl)pentan-2-amine
CID 63844116
4-[2-(3-methylpentan-2-ylamino)ethyl]phenol
CID 61236728
(2S,3S)-N-benzyl-3-methylpentan-2-amine
CID 28611874
(2R,3R)-N-benzyl-3-methylpentan-2-amine
CID 28611865
(2S,3R)-N-benzyl-3-methylpentan-2-amine
CID 28611871
1-N,1-N'-bis(2-phenylethyl)ethane-1,1-diamine
CID 141155075
2,3-dimethyl-N-(2-phenylethyl)pentan-1-amine
CID 22955485
2-methyl-3-(2-phenylethylamino)butanoic acid
CID 79391507
1-phenyl-2-(2-phenylethylamino)propan-1-ol
CID 14813307
2-(2-phenylethylamino)butan-1-ol
CID 17157372
4-chloro-3-methyl-N-(4-phenylbutyl)butan-2-amine
CID 114334751
3,4-dimethylhexylbenzene
CID 72602417

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-N-(2-phenylethyl)pentan-2-amine?
The IUPAC name of (2S,3S)-3-methyl-N-(2-phenylethyl)pentan-2-amine (CID 28615648) is (2S,3S)-3-methyl-N-(2-phenylethyl)pentan-2-amine.
What is the SMILES notation for (2S,3S)-3-methyl-N-(2-phenylethyl)pentan-2-amine?
The canonical SMILES for (2S,3S)-3-methyl-N-(2-phenylethyl)pentan-2-amine is CC[C@H](C)[C@H](C)NCCc1ccccc1.
What is the InChIKey of (2S,3S)-3-methyl-N-(2-phenylethyl)pentan-2-amine?
The InChIKey is JKCQWOIIBNUNIJ-STQMWFEESA-N. The full InChI is InChI=1S/C14H23N/c1-4-12(2)13(3)15-11-10-14-8-6-5-7-9-14/h5-9,12-13,15H,4,10-11H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-N-(2-phenylethyl)pentan-2-amine?
(2S,3S)-3-methyl-N-(2-phenylethyl)pentan-2-amine has a molecular weight of 205.35 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-N-(2-phenylethyl)pentan-2-amine is sourced from PubChem (CID 28615648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).