(1S)-1-[4-(1-methylcyclopropyl)phenyl]ethanamine

C12H17N — CID 89490013

IUPAC(1S)-1-[4-(1-methylcyclopropyl)phenyl]ethanamine
SMILESC[C@H](N)c1ccc(C2(C)CC2)cc1
InChIInChI=1S/C12H17N/c1-9(13)10-3-5-11(6-4-10)12(2)7-8-12/h3-6,9H,7-8,13H2,1-2H3/t9-/m0/s1
InChIKeyVUOGOQFYPLALFP-VIFPVBQESA-N
MW175.28 g/mol
LogP2.76
Rot. Bonds2

About (1S)-1-[4-(1-methylcyclopropyl)phenyl]ethanamine

(1S)-1-[4-(1-methylcyclopropyl)phenyl]ethanamine (PubChem CID 89490013) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is (1S)-1-[4-(1-methylcyclopropyl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-(1-methylcyclopropyl)phenyl]ethanamine
PubChem CID89490013
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name(1S)-1-[4-(1-methylcyclopropyl)phenyl]ethanamine
SMILESC[C@H](N)c1ccc(C2(C)CC2)cc1
InChIInChI=1S/C12H17N/c1-9(13)10-3-5-11(6-4-10)12(2)7-8-12/h3-6,9H,7-8,13H2,1-2H3/t9-/m0/s1
InChIKeyVUOGOQFYPLALFP-VIFPVBQESA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(1-methylcyclopropyl)phenyl]ethanamine?
The IUPAC name of (1S)-1-[4-(1-methylcyclopropyl)phenyl]ethanamine (CID 89490013) is (1S)-1-[4-(1-methylcyclopropyl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-(1-methylcyclopropyl)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-(1-methylcyclopropyl)phenyl]ethanamine is C[C@H](N)c1ccc(C2(C)CC2)cc1.
What is the InChIKey of (1S)-1-[4-(1-methylcyclopropyl)phenyl]ethanamine?
The InChIKey is VUOGOQFYPLALFP-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N/c1-9(13)10-3-5-11(6-4-10)12(2)7-8-12/h3-6,9H,7-8,13H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-[4-(1-methylcyclopropyl)phenyl]ethanamine?
(1S)-1-[4-(1-methylcyclopropyl)phenyl]ethanamine has a molecular weight of 175.28 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(1-methylcyclopropyl)phenyl]ethanamine is sourced from PubChem (CID 89490013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).