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

C12H17N — CID 117047647

IUPAC1-[4-(1-methylcyclopropyl)phenyl]ethanamine
SMILESCC(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
InChIKeyVUOGOQFYPLALFP-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.76
Rot. Bonds2

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

1-[4-(1-methylcyclopropyl)phenyl]ethanamine (PubChem CID 117047647) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 1-[4-(1-methylcyclopropyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(1-methylcyclopropyl)phenyl]ethanamine
PubChem CID117047647
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name1-[4-(1-methylcyclopropyl)phenyl]ethanamine
SMILESCC(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
InChIKeyVUOGOQFYPLALFP-UHFFFAOYSA-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 1-[4-(1-methylcyclopropyl)phenyl]ethanamine?
The IUPAC name of 1-[4-(1-methylcyclopropyl)phenyl]ethanamine (CID 117047647) is 1-[4-(1-methylcyclopropyl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(1-methylcyclopropyl)phenyl]ethanamine?
The canonical SMILES for 1-[4-(1-methylcyclopropyl)phenyl]ethanamine is CC(N)c1ccc(C2(C)CC2)cc1.
What is the InChIKey of 1-[4-(1-methylcyclopropyl)phenyl]ethanamine?
The InChIKey is VUOGOQFYPLALFP-UHFFFAOYSA-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.
What are the key properties of 1-[4-(1-methylcyclopropyl)phenyl]ethanamine?
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 1-[4-(1-methylcyclopropyl)phenyl]ethanamine is sourced from PubChem (CID 117047647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).