1-chloro-4-methoxy-N-(quinolin-2-ylmethyl)butan-2-amine

C15H19ClN2O — CID 114210236

IUPAC1-chloro-4-methoxy-N-(quinolin-2-ylmethyl)butan-2-amine
SMILESCOCCC(CCl)NCc1ccc2ccccc2n1
InChIInChI=1S/C15H19ClN2O/c1-19-9-8-13(10-16)17-11-14-7-6-12-4-2-3-5-15(12)18-14/h2-7,13,17H,8-11H2,1H3
InChIKeyXTMMUFYRUVEGAI-UHFFFAOYSA-N
MW278.78 g/mol
LogP2.97
Rot. Bonds7

About 1-chloro-4-methoxy-N-(quinolin-2-ylmethyl)butan-2-amine

1-chloro-4-methoxy-N-(quinolin-2-ylmethyl)butan-2-amine (PubChem CID 114210236) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 1-chloro-4-methoxy-N-(quinolin-2-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name1-chloro-4-methoxy-N-(quinolin-2-ylmethyl)butan-2-amine
PubChem CID114210236
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name1-chloro-4-methoxy-N-(quinolin-2-ylmethyl)butan-2-amine
SMILESCOCCC(CCl)NCc1ccc2ccccc2n1
InChIInChI=1S/C15H19ClN2O/c1-19-9-8-13(10-16)17-11-14-7-6-12-4-2-3-5-15(12)18-14/h2-7,13,17H,8-11H2,1H3
InChIKeyXTMMUFYRUVEGAI-UHFFFAOYSA-N
XLogP2.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(quinolin-2-ylmethyl)pentan-3-amine
CID 28774778
2-(2-methoxyethyl)quinoline
CID 129321824
methyl (2S)-2-(quinolin-2-ylmethylamino)propanoate
CID 61141163
N-(quinolin-2-ylmethyl)butan-2-amine
CID 43183332
4-methyl-N-(quinolin-2-ylmethyl)pentan-2-amine
CID 43372170
(2R)-2-(quinolin-2-ylmethylamino)propan-1-ol
CID 93083144
2-methyl-N-(quinolin-2-ylmethyl)pentan-3-amine
CID 54954967
1-methylsulfanyl-N-(quinolin-2-ylmethyl)propan-2-amine
CID 115654305
(1R)-1-cyclopentyl-N-(quinolin-2-ylmethyl)ethanamine
CID 81395320
2-propan-2-yloxy-N-(quinolin-2-ylmethyl)ethanamine
CID 113429898
N-(1-benzothiophen-3-ylmethyl)-1-chloro-4-methoxybutan-2-amine
CID 114210220
N-(quinolin-2-ylmethyl)hex-1-yn-3-amine
CID 106227146

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methoxy-N-(quinolin-2-ylmethyl)butan-2-amine?
The IUPAC name of 1-chloro-4-methoxy-N-(quinolin-2-ylmethyl)butan-2-amine (CID 114210236) is 1-chloro-4-methoxy-N-(quinolin-2-ylmethyl)butan-2-amine.
What is the SMILES notation for 1-chloro-4-methoxy-N-(quinolin-2-ylmethyl)butan-2-amine?
The canonical SMILES for 1-chloro-4-methoxy-N-(quinolin-2-ylmethyl)butan-2-amine is COCCC(CCl)NCc1ccc2ccccc2n1.
What is the InChIKey of 1-chloro-4-methoxy-N-(quinolin-2-ylmethyl)butan-2-amine?
The InChIKey is XTMMUFYRUVEGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-19-9-8-13(10-16)17-11-14-7-6-12-4-2-3-5-15(12)18-14/h2-7,13,17H,8-11H2,1H3.
What are the key properties of 1-chloro-4-methoxy-N-(quinolin-2-ylmethyl)butan-2-amine?
1-chloro-4-methoxy-N-(quinolin-2-ylmethyl)butan-2-amine has a molecular weight of 278.78 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methoxy-N-(quinolin-2-ylmethyl)butan-2-amine is sourced from PubChem (CID 114210236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).