1-[(3-pyrrolidin-1-ylphenyl)methyl]cyclopropan-1-amine

C14H20N2 — CID 117308512

IUPAC1-[(3-pyrrolidin-1-ylphenyl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2cccc(N3CCCC3)c2)CC1
InChIInChI=1S/C14H20N2/c15-14(6-7-14)11-12-4-3-5-13(10-12)16-8-1-2-9-16/h3-5,10H,1-2,6-9,11,15H2
InChIKeyGBEITAFMSIRTFF-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.32
Rot. Bonds3

About 1-[(3-pyrrolidin-1-ylphenyl)methyl]cyclopropan-1-amine

1-[(3-pyrrolidin-1-ylphenyl)methyl]cyclopropan-1-amine (PubChem CID 117308512) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-[(3-pyrrolidin-1-ylphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(3-pyrrolidin-1-ylphenyl)methyl]cyclopropan-1-amine
PubChem CID117308512
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-[(3-pyrrolidin-1-ylphenyl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2cccc(N3CCCC3)c2)CC1
InChIInChI=1S/C14H20N2/c15-14(6-7-14)11-12-4-3-5-13(10-12)16-8-1-2-9-16/h3-5,10H,1-2,6-9,11,15H2
InChIKeyGBEITAFMSIRTFF-UHFFFAOYSA-N
XLogP2.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-pyrrolidin-1-ylphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(3-pyrrolidin-1-ylphenyl)methyl]cyclopropan-1-amine (CID 117308512) is 1-[(3-pyrrolidin-1-ylphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(3-pyrrolidin-1-ylphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(3-pyrrolidin-1-ylphenyl)methyl]cyclopropan-1-amine is NC1(Cc2cccc(N3CCCC3)c2)CC1.
What is the InChIKey of 1-[(3-pyrrolidin-1-ylphenyl)methyl]cyclopropan-1-amine?
The InChIKey is GBEITAFMSIRTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c15-14(6-7-14)11-12-4-3-5-13(10-12)16-8-1-2-9-16/h3-5,10H,1-2,6-9,11,15H2.
What are the key properties of 1-[(3-pyrrolidin-1-ylphenyl)methyl]cyclopropan-1-amine?
1-[(3-pyrrolidin-1-ylphenyl)methyl]cyclopropan-1-amine has a molecular weight of 216.33 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-pyrrolidin-1-ylphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117308512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).