1-(3-pyridin-4-ylphenyl)cyclopropan-1-amine

C14H14N2 — CID 167713448

IUPAC1-(3-pyridin-4-ylphenyl)cyclopropan-1-amine
SMILESNC1(c2cccc(-c3ccncc3)c2)CC1
InChIInChI=1S/C14H14N2/c15-14(6-7-14)13-3-1-2-12(10-13)11-4-8-16-9-5-11/h1-5,8-10H,6-7,15H2
InChIKeyYYIYCYQULWYESM-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.70
Rot. Bonds2

About 1-(3-pyridin-4-ylphenyl)cyclopropan-1-amine

1-(3-pyridin-4-ylphenyl)cyclopropan-1-amine (PubChem CID 167713448) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(3-pyridin-4-ylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-pyridin-4-ylphenyl)cyclopropan-1-amine
PubChem CID167713448
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name1-(3-pyridin-4-ylphenyl)cyclopropan-1-amine
SMILESNC1(c2cccc(-c3ccncc3)c2)CC1
InChIInChI=1S/C14H14N2/c15-14(6-7-14)13-3-1-2-12(10-13)11-4-8-16-9-5-11/h1-5,8-10H,6-7,15H2
InChIKeyYYIYCYQULWYESM-UHFFFAOYSA-N
XLogP2.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-pyridin-4-ylphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(3-pyridin-4-ylphenyl)cyclopropan-1-amine (CID 167713448) is 1-(3-pyridin-4-ylphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3-pyridin-4-ylphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(3-pyridin-4-ylphenyl)cyclopropan-1-amine is NC1(c2cccc(-c3ccncc3)c2)CC1.
What is the InChIKey of 1-(3-pyridin-4-ylphenyl)cyclopropan-1-amine?
The InChIKey is YYIYCYQULWYESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c15-14(6-7-14)13-3-1-2-12(10-13)11-4-8-16-9-5-11/h1-5,8-10H,6-7,15H2.
What are the key properties of 1-(3-pyridin-4-ylphenyl)cyclopropan-1-amine?
1-(3-pyridin-4-ylphenyl)cyclopropan-1-amine has a molecular weight of 210.28 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyridin-4-ylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 167713448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).