N-(1-chloro-3-methylbutan-2-yl)quinolin-4-amine

C14H17ClN2 — CID 79267735

IUPACN-(1-chloro-3-methylbutan-2-yl)quinolin-4-amine
SMILESCC(C)C(CCl)Nc1ccnc2ccccc12
InChIInChI=1S/C14H17ClN2/c1-10(2)14(9-15)17-13-7-8-16-12-6-4-3-5-11(12)13/h3-8,10,14H,9H2,1-2H3,(H,16,17)
InChIKeyVFDZINPXGYWYEP-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.91
Rot. Bonds4

About N-(1-chloro-3-methylbutan-2-yl)quinolin-4-amine

N-(1-chloro-3-methylbutan-2-yl)quinolin-4-amine (PubChem CID 79267735) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is N-(1-chloro-3-methylbutan-2-yl)quinolin-4-amine.

Molecular Properties

Compound NameN-(1-chloro-3-methylbutan-2-yl)quinolin-4-amine
PubChem CID79267735
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC NameN-(1-chloro-3-methylbutan-2-yl)quinolin-4-amine
SMILESCC(C)C(CCl)Nc1ccnc2ccccc12
InChIInChI=1S/C14H17ClN2/c1-10(2)14(9-15)17-13-7-8-16-12-6-4-3-5-11(12)13/h3-8,10,14H,9H2,1-2H3,(H,16,17)
InChIKeyVFDZINPXGYWYEP-UHFFFAOYSA-N
XLogP3.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.91
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

N-(1-chlorobutan-2-yl)quinolin-4-amine
CID 65030067
N-(1-chloro-3-methylbutan-2-yl)quinazolin-4-amine
CID 79266861
N-pentan-3-ylquinolin-4-amine
CID 61340263
3-N-quinolin-4-ylbutane-1,3-diamine
CID 83179618
N-(1-cyclopropylethyl)quinolin-4-amine
CID 61340996
3-(quinolin-4-ylamino)butanamide
CID 115685011
N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-4-amine
CID 61472818
N-ethylquinolin-4-amine
CID 15306588
N-(1-phenylethyl)quinolin-5-amine
CID 43177987
N-(2-methylbutyl)quinolin-4-amine
CID 62694785
N-propyl-2-(quinolin-4-ylamino)propanamide
CID 61480226
N-(1-cyclohexylethyl)quinolin-4-amine
CID 63541364

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methylbutan-2-yl)quinolin-4-amine?
The IUPAC name of N-(1-chloro-3-methylbutan-2-yl)quinolin-4-amine (CID 79267735) is N-(1-chloro-3-methylbutan-2-yl)quinolin-4-amine.
What is the SMILES notation for N-(1-chloro-3-methylbutan-2-yl)quinolin-4-amine?
The canonical SMILES for N-(1-chloro-3-methylbutan-2-yl)quinolin-4-amine is CC(C)C(CCl)Nc1ccnc2ccccc12.
What is the InChIKey of N-(1-chloro-3-methylbutan-2-yl)quinolin-4-amine?
The InChIKey is VFDZINPXGYWYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-10(2)14(9-15)17-13-7-8-16-12-6-4-3-5-11(12)13/h3-8,10,14H,9H2,1-2H3,(H,16,17).
What are the key properties of N-(1-chloro-3-methylbutan-2-yl)quinolin-4-amine?
N-(1-chloro-3-methylbutan-2-yl)quinolin-4-amine has a molecular weight of 248.76 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methylbutan-2-yl)quinolin-4-amine is sourced from PubChem (CID 79267735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).