3-(3-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclobutan-1-amine

C17H19ClN2 — CID 81402505

IUPAC3-(3-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclobutan-1-amine
SMILESC[C@@H](NC1CC(c2cccc(Cl)c2)C1)c1ccccn1
InChIInChI=1S/C17H19ClN2/c1-12(17-7-2-3-8-19-17)20-16-10-14(11-16)13-5-4-6-15(18)9-13/h2-9,12,14,16,20H,10-11H2,1H3/t12-,14?,16?/m1/s1
InChIKeyQPVOWEOYCONIFX-XEBKBJJBSA-N
MW286.81 g/mol
LogP4.33
Rot. Bonds4

About 3-(3-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclobutan-1-amine

3-(3-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclobutan-1-amine (PubChem CID 81402505) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclobutan-1-amine
PubChem CID81402505
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name3-(3-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclobutan-1-amine
SMILESC[C@@H](NC1CC(c2cccc(Cl)c2)C1)c1ccccn1
InChIInChI=1S/C17H19ClN2/c1-12(17-7-2-3-8-19-17)20-16-10-14(11-16)13-5-4-6-15(18)9-13/h2-9,12,14,16,20H,10-11H2,1H3/t12-,14?,16?/m1/s1
InChIKeyQPVOWEOYCONIFX-XEBKBJJBSA-N
XLogP4.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclobutan-1-amine?
The IUPAC name of 3-(3-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclobutan-1-amine (CID 81402505) is 3-(3-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(3-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclobutan-1-amine is C[C@@H](NC1CC(c2cccc(Cl)c2)C1)c1ccccn1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclobutan-1-amine?
The InChIKey is QPVOWEOYCONIFX-XEBKBJJBSA-N. The full InChI is InChI=1S/C17H19ClN2/c1-12(17-7-2-3-8-19-17)20-16-10-14(11-16)13-5-4-6-15(18)9-13/h2-9,12,14,16,20H,10-11H2,1H3/t12-,14?,16?/m1/s1.
What are the key properties of 3-(3-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclobutan-1-amine?
3-(3-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclobutan-1-amine has a molecular weight of 286.81 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclobutan-1-amine is sourced from PubChem (CID 81402505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).