N-[(2-quinolin-7-ylphenyl)methyl]propan-1-amine

C19H20N2 — CID 81230157

IUPACN-[(2-quinolin-7-ylphenyl)methyl]propan-1-amine
SMILESCCCNCc1ccccc1-c1ccc2cccnc2c1
InChIInChI=1S/C19H20N2/c1-2-11-20-14-17-6-3-4-8-18(17)16-10-9-15-7-5-12-21-19(15)13-16/h3-10,12-13,20H,2,11,14H2,1H3
InChIKeyNSBTUMFBPDUHPX-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.40
Rot. Bonds5

About N-[(2-quinolin-7-ylphenyl)methyl]propan-1-amine

N-[(2-quinolin-7-ylphenyl)methyl]propan-1-amine (PubChem CID 81230157) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(2-quinolin-7-ylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-quinolin-7-ylphenyl)methyl]propan-1-amine
PubChem CID81230157
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC NameN-[(2-quinolin-7-ylphenyl)methyl]propan-1-amine
SMILESCCCNCc1ccccc1-c1ccc2cccnc2c1
InChIInChI=1S/C19H20N2/c1-2-11-20-14-17-6-3-4-8-18(17)16-10-9-15-7-5-12-21-19(15)13-16/h3-10,12-13,20H,2,11,14H2,1H3
InChIKeyNSBTUMFBPDUHPX-UHFFFAOYSA-N
XLogP4.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(4-propylphenyl)phenyl]methyl]propan-1-amine
CID 63424634
N-propyl-4-quinolin-7-ylpyrimidin-2-amine
CID 81221832
N-[[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methyl]propan-1-amine
CID 63021469
N-[[2-(4-propan-2-ylphenyl)phenyl]methyl]propan-1-amine
CID 63424719
N-propyl-3-quinolin-7-ylpropan-1-amine
CID 81221698
N-[(2-quinolin-6-ylpyrimidin-4-yl)methyl]propan-1-amine
CID 63094938
N-[(2-quinolin-8-ylphenyl)methyl]ethanamine
CID 81224519
4-methyl-3-quinolin-7-ylbenzaldehyde
CID 105408212
N-[[2-[4-(difluoromethylsulfanyl)phenyl]phenyl]methyl]propan-1-amine
CID 63425013
N-[[2-(1-benzothiophen-7-yl)phenyl]methyl]propan-1-amine
CID 81153617
N-[(2-phenoxy-3-pyridinyl)methyl]propan-1-amine
CID 62295599
N-ethyl-5-quinolin-7-yl-1,3,4-thiadiazol-2-amine
CID 81222139

Frequently Asked Questions

What is the IUPAC name of N-[(2-quinolin-7-ylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-quinolin-7-ylphenyl)methyl]propan-1-amine (CID 81230157) is N-[(2-quinolin-7-ylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-quinolin-7-ylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-quinolin-7-ylphenyl)methyl]propan-1-amine is CCCNCc1ccccc1-c1ccc2cccnc2c1.
What is the InChIKey of N-[(2-quinolin-7-ylphenyl)methyl]propan-1-amine?
The InChIKey is NSBTUMFBPDUHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-2-11-20-14-17-6-3-4-8-18(17)16-10-9-15-7-5-12-21-19(15)13-16/h3-10,12-13,20H,2,11,14H2,1H3.
What are the key properties of N-[(2-quinolin-7-ylphenyl)methyl]propan-1-amine?
N-[(2-quinolin-7-ylphenyl)methyl]propan-1-amine has a molecular weight of 276.38 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-quinolin-7-ylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 81230157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).