(2S)-3-ethyl-3-phenylpentan-2-amine

C13H21N — CID 64712581

IUPAC(2S)-3-ethyl-3-phenylpentan-2-amine
SMILESCCC(CC)(c1ccccc1)[C@H](C)N
InChIInChI=1S/C13H21N/c1-4-13(5-2,11(3)14)12-9-7-6-8-10-12/h6-11H,4-5,14H2,1-3H3/t11-/m0/s1
InChIKeyAIXBLMVOZMBODR-NSHDSACASA-N
MW191.32 g/mol
LogP3.09
Rot. Bonds4

About (2S)-3-ethyl-3-phenylpentan-2-amine

(2S)-3-ethyl-3-phenylpentan-2-amine (PubChem CID 64712581) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (2S)-3-ethyl-3-phenylpentan-2-amine.

Molecular Properties

Compound Name(2S)-3-ethyl-3-phenylpentan-2-amine
PubChem CID64712581
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(2S)-3-ethyl-3-phenylpentan-2-amine
SMILESCCC(CC)(c1ccccc1)[C@H](C)N
InChIInChI=1S/C13H21N/c1-4-13(5-2,11(3)14)12-9-7-6-8-10-12/h6-11H,4-5,14H2,1-3H3/t11-/m0/s1
InChIKeyAIXBLMVOZMBODR-NSHDSACASA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-5-methyl-3-phenylheptan-4-amine
CID 79446709
5-ethyl-1,1,1-trifluoro-5-phenylheptan-4-amine
CID 64564957
3-ethyl-3-phenyltricosan-4-amine
CID 21316172
2-ethyl-1-(4-ethylphenyl)-2-phenylbutan-1-amine
CID 63417946
1-(2-chlorophenyl)-2-ethyl-2-phenylbutan-1-amine
CID 63418123
2-ethyl-2-phenyl-1-thiophen-2-ylbutan-1-amine
CID 63082381
3-ethyl-3-phenylheptadecan-4-amine;hydrochloride
CID 173450724
1-ethoxy-4-ethyl-4-phenylhexan-3-amine
CID 114992855
4-amino-3-ethyl-3-phenylhexanoic acid
CID 66096689
1-cyclohexyl-2-ethyl-2-phenylbutan-1-amine
CID 63418081
3-ethyl-7-methyl-3-phenyloctan-4-ol
CID 63414576
3-ethyl-1-(4-iodophenyl)-3-phenylpentan-2-amine
CID 65477714

Frequently Asked Questions

What is the IUPAC name of (2S)-3-ethyl-3-phenylpentan-2-amine?
The IUPAC name of (2S)-3-ethyl-3-phenylpentan-2-amine (CID 64712581) is (2S)-3-ethyl-3-phenylpentan-2-amine.
What is the SMILES notation for (2S)-3-ethyl-3-phenylpentan-2-amine?
The canonical SMILES for (2S)-3-ethyl-3-phenylpentan-2-amine is CCC(CC)(c1ccccc1)[C@H](C)N.
What is the InChIKey of (2S)-3-ethyl-3-phenylpentan-2-amine?
The InChIKey is AIXBLMVOZMBODR-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N/c1-4-13(5-2,11(3)14)12-9-7-6-8-10-12/h6-11H,4-5,14H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-3-ethyl-3-phenylpentan-2-amine?
(2S)-3-ethyl-3-phenylpentan-2-amine has a molecular weight of 191.32 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-ethyl-3-phenylpentan-2-amine is sourced from PubChem (CID 64712581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).