(1R)-1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]ethanamine

C14H21N — CID 131380842

IUPAC(1R)-1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(/C=C/C(C)(C)C)cc1
InChIInChI=1S/C14H21N/c1-11(15)13-7-5-12(6-8-13)9-10-14(2,3)4/h5-11H,15H2,1-4H3/b10-9+/t11-/m1/s1
InChIKeyHPKSCDSXZCQRKS-PBQZMEPESA-N
MW203.33 g/mol
LogP3.77
Rot. Bonds2

About (1R)-1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]ethanamine

(1R)-1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]ethanamine (PubChem CID 131380842) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (1R)-1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]ethanamine
PubChem CID131380842
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(1R)-1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(/C=C/C(C)(C)C)cc1
InChIInChI=1S/C14H21N/c1-11(15)13-7-5-12(6-8-13)9-10-14(2,3)4/h5-11H,15H2,1-4H3/b10-9+/t11-/m1/s1
InChIKeyHPKSCDSXZCQRKS-PBQZMEPESA-N
XLogP3.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]ethanamine (CID 131380842) is (1R)-1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]ethanamine is C[C@@H](N)c1ccc(/C=C/C(C)(C)C)cc1.
What is the InChIKey of (1R)-1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]ethanamine?
The InChIKey is HPKSCDSXZCQRKS-PBQZMEPESA-N. The full InChI is InChI=1S/C14H21N/c1-11(15)13-7-5-12(6-8-13)9-10-14(2,3)4/h5-11H,15H2,1-4H3/b10-9+/t11-/m1/s1.
What are the key properties of (1R)-1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]ethanamine?
(1R)-1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]ethanamine has a molecular weight of 203.33 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]ethanamine is sourced from PubChem (CID 131380842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).