(2R)-4-(4-propan-2-ylphenyl)butan-2-amine

C13H21N — CID 40999647

IUPAC(2R)-4-(4-propan-2-ylphenyl)butan-2-amine
SMILESCC(C)c1ccc(CC[C@@H](C)N)cc1
InChIInChI=1S/C13H21N/c1-10(2)13-8-6-12(7-9-13)5-4-11(3)14/h6-11H,4-5,14H2,1-3H3/t11-/m1/s1
InChIKeyXSRNLBCKSDBTAO-LLVKDONJSA-N
MW191.32 g/mol
LogP3.09
Rot. Bonds4

About (2R)-4-(4-propan-2-ylphenyl)butan-2-amine

(2R)-4-(4-propan-2-ylphenyl)butan-2-amine (PubChem CID 40999647) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (2R)-4-(4-propan-2-ylphenyl)butan-2-amine.

Molecular Properties

Compound Name(2R)-4-(4-propan-2-ylphenyl)butan-2-amine
PubChem CID40999647
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(2R)-4-(4-propan-2-ylphenyl)butan-2-amine
SMILESCC(C)c1ccc(CC[C@@H](C)N)cc1
InChIInChI=1S/C13H21N/c1-10(2)13-8-6-12(7-9-13)5-4-11(3)14/h6-11H,4-5,14H2,1-3H3/t11-/m1/s1
InChIKeyXSRNLBCKSDBTAO-LLVKDONJSA-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

4-[4-(4-chlorophenyl)phenyl]butan-2-amine
CID 82541976
(2S)-4-phenylbutan-2-amine
CID 6994564
1-(3-methylbutyl)-4-(4-propan-2-ylphenyl)benzene
CID 164757723
4-[4-(3,4-dichlorophenyl)phenyl]butan-2-amine
CID 82541472
5-(4-propan-2-ylphenyl)hexan-2-amine
CID 83939090
4-[(3R)-3-aminobutyl]benzenesulfonamide
CID 54189732
2-methyl-4-(4-propan-2-ylphenyl)butanal
CID 64665585
4-pyridin-4-ylbutan-2-amine;hydrobromide
CID 122657673
(2R)-4-naphthalen-2-ylbutan-2-amine
CID 131577314
4-(4-chloro-3-methylphenyl)butan-2-amine
CID 130054284
(2S)-4-(3,4-dimethylphenyl)butan-2-amine
CID 42077524
4-methyl-5-(4-propan-2-ylphenyl)pentan-2-amine
CID 64718514

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-propan-2-ylphenyl)butan-2-amine?
The IUPAC name of (2R)-4-(4-propan-2-ylphenyl)butan-2-amine (CID 40999647) is (2R)-4-(4-propan-2-ylphenyl)butan-2-amine.
What is the SMILES notation for (2R)-4-(4-propan-2-ylphenyl)butan-2-amine?
The canonical SMILES for (2R)-4-(4-propan-2-ylphenyl)butan-2-amine is CC(C)c1ccc(CC[C@@H](C)N)cc1.
What is the InChIKey of (2R)-4-(4-propan-2-ylphenyl)butan-2-amine?
The InChIKey is XSRNLBCKSDBTAO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N/c1-10(2)13-8-6-12(7-9-13)5-4-11(3)14/h6-11H,4-5,14H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-4-(4-propan-2-ylphenyl)butan-2-amine?
(2R)-4-(4-propan-2-ylphenyl)butan-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 (2R)-4-(4-propan-2-ylphenyl)butan-2-amine is sourced from PubChem (CID 40999647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).