3-(3-chloro-4-pyridinyl)-2-cyclopropyl-2-methylpropan-1-amine

C12H17ClN2 — CID 83148617

IUPAC3-(3-chloro-4-pyridinyl)-2-cyclopropyl-2-methylpropan-1-amine
SMILESCC(CN)(Cc1ccncc1Cl)C1CC1
InChIInChI=1S/C12H17ClN2/c1-12(8-14,10-2-3-10)6-9-4-5-15-7-11(9)13/h4-5,7,10H,2-3,6,8,14H2,1H3
InChIKeyMJLVGCGJJIQHDD-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.65
Rot. Bonds4

About 3-(3-chloro-4-pyridinyl)-2-cyclopropyl-2-methylpropan-1-amine

3-(3-chloro-4-pyridinyl)-2-cyclopropyl-2-methylpropan-1-amine (PubChem CID 83148617) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 3-(3-chloro-4-pyridinyl)-2-cyclopropyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4-pyridinyl)-2-cyclopropyl-2-methylpropan-1-amine
PubChem CID83148617
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name3-(3-chloro-4-pyridinyl)-2-cyclopropyl-2-methylpropan-1-amine
SMILESCC(CN)(Cc1ccncc1Cl)C1CC1
InChIInChI=1S/C12H17ClN2/c1-12(8-14,10-2-3-10)6-9-4-5-15-7-11(9)13/h4-5,7,10H,2-3,6,8,14H2,1H3
InChIKeyMJLVGCGJJIQHDD-UHFFFAOYSA-N
XLogP2.65
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-bromo-2-cyclopropyl-2-methylpropyl)-3-chloropyridine
CID 83151291
2-[(3-chloro-4-pyridinyl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine
CID 112566520
2-cyclopropyl-3-(2,3-dichlorophenyl)-2-methylpropan-1-amine
CID 107309812
1-(3-chloro-4-pyridinyl)-2-cyclohexylpropan-2-ol
CID 114794962
3-(3-chloro-4-pyridinyl)-2,2-dimethylpropanal
CID 130705947
N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloropyridine-4-carboxamide
CID 81486883
1-(3-chloro-4-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-amine
CID 114833502
4-[1-(3-chloro-4-pyridinyl)-2-hydroxypropan-2-yl]phenol
CID 83075337
4-[2-(bromomethyl)-2,3-dimethylbutyl]-3-chloropyridine
CID 83152349
1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2-chlorobenzene
CID 83151174
2-(3-chloro-4-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 115984863
1-(3-chloro-4-pyridinyl)-4-methoxy-4-methylpentan-2-amine
CID 103027370

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-pyridinyl)-2-cyclopropyl-2-methylpropan-1-amine?
The IUPAC name of 3-(3-chloro-4-pyridinyl)-2-cyclopropyl-2-methylpropan-1-amine (CID 83148617) is 3-(3-chloro-4-pyridinyl)-2-cyclopropyl-2-methylpropan-1-amine.
What is the SMILES notation for 3-(3-chloro-4-pyridinyl)-2-cyclopropyl-2-methylpropan-1-amine?
The canonical SMILES for 3-(3-chloro-4-pyridinyl)-2-cyclopropyl-2-methylpropan-1-amine is CC(CN)(Cc1ccncc1Cl)C1CC1.
What is the InChIKey of 3-(3-chloro-4-pyridinyl)-2-cyclopropyl-2-methylpropan-1-amine?
The InChIKey is MJLVGCGJJIQHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-12(8-14,10-2-3-10)6-9-4-5-15-7-11(9)13/h4-5,7,10H,2-3,6,8,14H2,1H3.
What are the key properties of 3-(3-chloro-4-pyridinyl)-2-cyclopropyl-2-methylpropan-1-amine?
3-(3-chloro-4-pyridinyl)-2-cyclopropyl-2-methylpropan-1-amine has a molecular weight of 224.73 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-pyridinyl)-2-cyclopropyl-2-methylpropan-1-amine is sourced from PubChem (CID 83148617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).