1-chloro-2-(chloromethyl)-N-(quinolin-2-ylmethyl)butan-2-amine

C15H18Cl2N2 — CID 107867234

IUPAC1-chloro-2-(chloromethyl)-N-(quinolin-2-ylmethyl)butan-2-amine
SMILESCCC(CCl)(CCl)NCc1ccc2ccccc2n1
InChIInChI=1S/C15H18Cl2N2/c1-2-15(10-16,11-17)18-9-13-8-7-12-5-3-4-6-14(12)19-13/h3-8,18H,2,9-11H2,1H3
InChIKeyUESQYNNMNNGKEZ-UHFFFAOYSA-N
MW297.23 g/mol
LogP3.95
Rot. Bonds6

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

1-chloro-2-(chloromethyl)-N-(quinolin-2-ylmethyl)butan-2-amine (PubChem CID 107867234) has the molecular formula C15H18Cl2N2 and a molecular weight of 297.23 g/mol. Its IUPAC name is 1-chloro-2-(chloromethyl)-N-(quinolin-2-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name1-chloro-2-(chloromethyl)-N-(quinolin-2-ylmethyl)butan-2-amine
PubChem CID107867234
Molecular FormulaC15H18Cl2N2
Molecular Weight297.23 g/mol
Exact Mass296.08
IUPAC Name1-chloro-2-(chloromethyl)-N-(quinolin-2-ylmethyl)butan-2-amine
SMILESCCC(CCl)(CCl)NCc1ccc2ccccc2n1
InChIInChI=1S/C15H18Cl2N2/c1-2-15(10-16,11-17)18-9-13-8-7-12-5-3-4-6-14(12)19-13/h3-8,18H,2,9-11H2,1H3
InChIKeyUESQYNNMNNGKEZ-UHFFFAOYSA-N
XLogP3.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-methyl-N-(quinolin-2-ylmethyl)pentan-3-amine
CID 114152911
3-methyl-3-(quinolin-2-ylmethylamino)pentan-1-ol
CID 103768861
N-(quinolin-2-ylmethyl)butan-2-amine
CID 43183332
2-methyl-N-(quinolin-2-ylmethyl)pentan-3-amine
CID 54954967
N-(quinolin-2-ylmethyl)pentan-3-amine
CID 28774778
2,3-dimethyl-2-N-(quinolin-2-ylmethyl)butane-1,2-diamine;dihydrochloride
CID 119929201
4-methyl-N-(quinolin-2-ylmethyl)pentan-2-amine
CID 43372170
N-[(2-chlorophenyl)methyl]-1-quinolin-2-ylmethanamine
CID 28774820
(2R)-2-(quinolin-2-ylmethylamino)propan-1-ol
CID 93083144
2-methyl-N-(2-quinolin-2-ylethyl)propan-2-amine
CID 62549000
2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 28774774
2-ethoxy-2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 114941479

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(chloromethyl)-N-(quinolin-2-ylmethyl)butan-2-amine?
The IUPAC name of 1-chloro-2-(chloromethyl)-N-(quinolin-2-ylmethyl)butan-2-amine (CID 107867234) is 1-chloro-2-(chloromethyl)-N-(quinolin-2-ylmethyl)butan-2-amine.
What is the SMILES notation for 1-chloro-2-(chloromethyl)-N-(quinolin-2-ylmethyl)butan-2-amine?
The canonical SMILES for 1-chloro-2-(chloromethyl)-N-(quinolin-2-ylmethyl)butan-2-amine is CCC(CCl)(CCl)NCc1ccc2ccccc2n1.
What is the InChIKey of 1-chloro-2-(chloromethyl)-N-(quinolin-2-ylmethyl)butan-2-amine?
The InChIKey is UESQYNNMNNGKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2/c1-2-15(10-16,11-17)18-9-13-8-7-12-5-3-4-6-14(12)19-13/h3-8,18H,2,9-11H2,1H3.
What are the key properties of 1-chloro-2-(chloromethyl)-N-(quinolin-2-ylmethyl)butan-2-amine?
1-chloro-2-(chloromethyl)-N-(quinolin-2-ylmethyl)butan-2-amine has a molecular weight of 297.23 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(chloromethyl)-N-(quinolin-2-ylmethyl)butan-2-amine is sourced from PubChem (CID 107867234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).