N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]quinolin-2-amine

C20H21N3 — CID 97312348

IUPACN-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]quinolin-2-amine
SMILESc1ccc(N2CC[C@@H](CNc3ccc4ccccc4n3)C2)cc1
InChIInChI=1S/C20H21N3/c1-2-7-18(8-3-1)23-13-12-16(15-23)14-21-20-11-10-17-6-4-5-9-19(17)22-20/h1-11,16H,12-15H2,(H,21,22)/t16-/m0/s1
InChIKeyABNFNNSWROMBOC-INIZCTEOSA-N
MW303.41 g/mol
LogP4.17
Rot. Bonds4

About N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]quinolin-2-amine

N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]quinolin-2-amine (PubChem CID 97312348) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]quinolin-2-amine.

Molecular Properties

Compound NameN-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]quinolin-2-amine
PubChem CID97312348
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC NameN-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]quinolin-2-amine
SMILESc1ccc(N2CC[C@@H](CNc3ccc4ccccc4n3)C2)cc1
InChIInChI=1S/C20H21N3/c1-2-7-18(8-3-1)23-13-12-16(15-23)14-21-20-11-10-17-6-4-5-9-19(17)22-20/h1-11,16H,12-15H2,(H,21,22)/t16-/m0/s1
InChIKeyABNFNNSWROMBOC-INIZCTEOSA-N
XLogP4.17
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-nitro-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]pyridin-2-amine
CID 36833284
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 42258344
5-[(1-phenylpyrrolidin-3-yl)methylamino]pyrazine-2-carbonitrile
CID 133291105
N-[(1,4-dimethylpiperazin-2-yl)methyl]quinolin-2-amine
CID 63896921
4,5-dimethyl-2-[6-[(1-phenylpyrrolidin-3-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137268074
[(3S)-1-phenylpyrrolidin-3-yl]methanol
CID 42258987
6-bromo-N-[(1-phenylpyrrolidin-3-yl)methyl]quinazolin-4-amine
CID 87021035
N-[(2-chlorocyclohexyl)methyl]quinolin-2-amine
CID 65029143
N-methyl-1-(1-naphthalen-2-ylpyrrolidin-3-yl)methanamine
CID 62513770
N-(2-cyclohexylethyl)quinolin-2-amine
CID 55223452
2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957578
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]quinolin-2-amine?
The IUPAC name of N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]quinolin-2-amine (CID 97312348) is N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]quinolin-2-amine.
What is the SMILES notation for N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]quinolin-2-amine?
The canonical SMILES for N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]quinolin-2-amine is c1ccc(N2CC[C@@H](CNc3ccc4ccccc4n3)C2)cc1.
What is the InChIKey of N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]quinolin-2-amine?
The InChIKey is ABNFNNSWROMBOC-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21N3/c1-2-7-18(8-3-1)23-13-12-16(15-23)14-21-20-11-10-17-6-4-5-9-19(17)22-20/h1-11,16H,12-15H2,(H,21,22)/t16-/m0/s1.
What are the key properties of N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]quinolin-2-amine?
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]quinolin-2-amine has a molecular weight of 303.41 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]quinolin-2-amine is sourced from PubChem (CID 97312348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).