(1S)-2-phenyl-N-(quinolin-2-ylmethyl)cyclopropan-1-amine

C19H18N2 — CID 58035550

IUPAC(1S)-2-phenyl-N-(quinolin-2-ylmethyl)cyclopropan-1-amine
SMILESc1ccc(C2C[C@@H]2NCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C19H18N2/c1-2-6-14(7-3-1)17-12-19(17)20-13-16-11-10-15-8-4-5-9-18(15)21-16/h1-11,17,19-20H,12-13H2/t17?,19-/m0/s1
InChIKeyWAFRFMFYPAXOSB-NNBQYGFHSA-N
MW274.37 g/mol
LogP3.88
Rot. Bonds4

About (1S)-2-phenyl-N-(quinolin-2-ylmethyl)cyclopropan-1-amine

(1S)-2-phenyl-N-(quinolin-2-ylmethyl)cyclopropan-1-amine (PubChem CID 58035550) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is (1S)-2-phenyl-N-(quinolin-2-ylmethyl)cyclopropan-1-amine.

Molecular Properties

Compound Name(1S)-2-phenyl-N-(quinolin-2-ylmethyl)cyclopropan-1-amine
PubChem CID58035550
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name(1S)-2-phenyl-N-(quinolin-2-ylmethyl)cyclopropan-1-amine
SMILESc1ccc(C2C[C@@H]2NCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C19H18N2/c1-2-6-14(7-3-1)17-12-19(17)20-13-16-11-10-15-8-4-5-9-18(15)21-16/h1-11,17,19-20H,12-13H2/t17?,19-/m0/s1
InChIKeyWAFRFMFYPAXOSB-NNBQYGFHSA-N
XLogP3.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 1935
CID 1935
CID 9215
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CID 107838
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CID 2723754
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CID 7019
CID 7019
CID 8643
CID 8643
CID 53389
CID 53389
CID 68802
CID 68802
CID 71545
CID 71545
CID 540335
CID 540335
CID 11352
CID 11352
CID 115141
CID 115141

Frequently Asked Questions

What is the IUPAC name of (1S)-2-phenyl-N-(quinolin-2-ylmethyl)cyclopropan-1-amine?
The IUPAC name of (1S)-2-phenyl-N-(quinolin-2-ylmethyl)cyclopropan-1-amine (CID 58035550) is (1S)-2-phenyl-N-(quinolin-2-ylmethyl)cyclopropan-1-amine.
What is the SMILES notation for (1S)-2-phenyl-N-(quinolin-2-ylmethyl)cyclopropan-1-amine?
The canonical SMILES for (1S)-2-phenyl-N-(quinolin-2-ylmethyl)cyclopropan-1-amine is c1ccc(C2C[C@@H]2NCc2ccc3ccccc3n2)cc1.
What is the InChIKey of (1S)-2-phenyl-N-(quinolin-2-ylmethyl)cyclopropan-1-amine?
The InChIKey is WAFRFMFYPAXOSB-NNBQYGFHSA-N. The full InChI is InChI=1S/C19H18N2/c1-2-6-14(7-3-1)17-12-19(17)20-13-16-11-10-15-8-4-5-9-18(15)21-16/h1-11,17,19-20H,12-13H2/t17?,19-/m0/s1.
What are the key properties of (1S)-2-phenyl-N-(quinolin-2-ylmethyl)cyclopropan-1-amine?
(1S)-2-phenyl-N-(quinolin-2-ylmethyl)cyclopropan-1-amine has a molecular weight of 274.37 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-phenyl-N-(quinolin-2-ylmethyl)cyclopropan-1-amine is sourced from PubChem (CID 58035550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).