(1S)-2-methyl-1-phenyl-N-(quinolin-8-ylmethyl)propan-1-amine

C20H22N2 — CID 124823553

IUPAC(1S)-2-methyl-1-phenyl-N-(quinolin-8-ylmethyl)propan-1-amine
SMILESCC(C)[C@H](NCc1cccc2cccnc12)c1ccccc1
InChIInChI=1S/C20H22N2/c1-15(2)19(16-8-4-3-5-9-16)22-14-18-11-6-10-17-12-7-13-21-20(17)18/h3-13,15,19,22H,14H2,1-2H3/t19-/m0/s1
InChIKeyDGUPQKFXPUQMTF-IBGZPJMESA-N
MW290.41 g/mol
LogP4.72
Rot. Bonds5

About (1S)-2-methyl-1-phenyl-N-(quinolin-8-ylmethyl)propan-1-amine

(1S)-2-methyl-1-phenyl-N-(quinolin-8-ylmethyl)propan-1-amine (PubChem CID 124823553) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (1S)-2-methyl-1-phenyl-N-(quinolin-8-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-2-methyl-1-phenyl-N-(quinolin-8-ylmethyl)propan-1-amine
PubChem CID124823553
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name(1S)-2-methyl-1-phenyl-N-(quinolin-8-ylmethyl)propan-1-amine
SMILESCC(C)[C@H](NCc1cccc2cccnc12)c1ccccc1
InChIInChI=1S/C20H22N2/c1-15(2)19(16-8-4-3-5-9-16)22-14-18-11-6-10-17-12-7-13-21-20(17)18/h3-13,15,19,22H,14H2,1-2H3/t19-/m0/s1
InChIKeyDGUPQKFXPUQMTF-IBGZPJMESA-N
XLogP4.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-(quinolin-8-ylmethylamino)butanoic acid
CID 43468279
2-phenyl-N-(quinolin-8-ylmethyl)propan-1-amine
CID 43182084
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 60858501
1-iodo-3-methyl-N-(quinolin-8-ylmethyl)butan-2-amine
CID 107859459
(1R)-1-pyridin-4-yl-N-(quinolin-8-ylmethyl)ethanamine
CID 28644871
2-(quinolin-8-ylmethylamino)propanoic acid
CID 43467362
1-chloro-4-methyl-N-(quinolin-8-ylmethyl)pentan-3-amine
CID 106353850
(1S)-1-(3-chlorophenyl)-N-(quinolin-8-ylmethyl)ethanamine
CID 28649781
2-methyl-3-(quinolin-8-ylmethylamino)butan-1-ol
CID 115644489
2-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol;hydrochloride
CID 51117351
1-phenyl-2-(quinolin-8-ylmethylamino)ethanol
CID 43394632
N-(quinolin-8-ylmethyl)aniline
CID 28610045

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-1-phenyl-N-(quinolin-8-ylmethyl)propan-1-amine?
The IUPAC name of (1S)-2-methyl-1-phenyl-N-(quinolin-8-ylmethyl)propan-1-amine (CID 124823553) is (1S)-2-methyl-1-phenyl-N-(quinolin-8-ylmethyl)propan-1-amine.
What is the SMILES notation for (1S)-2-methyl-1-phenyl-N-(quinolin-8-ylmethyl)propan-1-amine?
The canonical SMILES for (1S)-2-methyl-1-phenyl-N-(quinolin-8-ylmethyl)propan-1-amine is CC(C)[C@H](NCc1cccc2cccnc12)c1ccccc1.
What is the InChIKey of (1S)-2-methyl-1-phenyl-N-(quinolin-8-ylmethyl)propan-1-amine?
The InChIKey is DGUPQKFXPUQMTF-IBGZPJMESA-N. The full InChI is InChI=1S/C20H22N2/c1-15(2)19(16-8-4-3-5-9-16)22-14-18-11-6-10-17-12-7-13-21-20(17)18/h3-13,15,19,22H,14H2,1-2H3/t19-/m0/s1.
What are the key properties of (1S)-2-methyl-1-phenyl-N-(quinolin-8-ylmethyl)propan-1-amine?
(1S)-2-methyl-1-phenyl-N-(quinolin-8-ylmethyl)propan-1-amine has a molecular weight of 290.41 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-1-phenyl-N-(quinolin-8-ylmethyl)propan-1-amine is sourced from PubChem (CID 124823553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).