5-bromo-3-chloro-N-(cyclopropylmethyl)-N-propan-2-ylpyridin-2-amine

C12H16BrClN2 — CID 103583262

IUPAC5-bromo-3-chloro-N-(cyclopropylmethyl)-N-propan-2-ylpyridin-2-amine
SMILESCC(C)N(CC1CC1)c1ncc(Br)cc1Cl
InChIInChI=1S/C12H16BrClN2/c1-8(2)16(7-9-3-4-9)12-11(14)5-10(13)6-15-12/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyIRAUYWPTBZRNQT-UHFFFAOYSA-N
MW303.63 g/mol
LogP4.12
Rot. Bonds4

About 5-bromo-3-chloro-N-(cyclopropylmethyl)-N-propan-2-ylpyridin-2-amine

5-bromo-3-chloro-N-(cyclopropylmethyl)-N-propan-2-ylpyridin-2-amine (PubChem CID 103583262) has the molecular formula C12H16BrClN2 and a molecular weight of 303.63 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-(cyclopropylmethyl)-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-(cyclopropylmethyl)-N-propan-2-ylpyridin-2-amine
PubChem CID103583262
Molecular FormulaC12H16BrClN2
Molecular Weight303.63 g/mol
Exact Mass302.02
IUPAC Name5-bromo-3-chloro-N-(cyclopropylmethyl)-N-propan-2-ylpyridin-2-amine
SMILESCC(C)N(CC1CC1)c1ncc(Br)cc1Cl
InChIInChI=1S/C12H16BrClN2/c1-8(2)16(7-9-3-4-9)12-11(14)5-10(13)6-15-12/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyIRAUYWPTBZRNQT-UHFFFAOYSA-N
XLogP4.12
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.63
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine
CID 55059331
5-bromo-N-(2-bromoethyl)-3-chloro-N-propan-2-ylpyridin-2-amine
CID 103584128
3-chloro-N-(cyclopropylmethyl)-5-(ethylaminomethyl)-N-propan-2-ylpyridin-2-amine
CID 62287460
3-[(5-bromo-3-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 103582964
5-bromo-3-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
CID 107400761
3-bromo-8-N-(cyclopropylmethyl)-8-N-propan-2-ylquinoline-5,8-diamine
CID 106949222
3-bromo-2-N-(cyclopropylmethyl)-4-methyl-2-N-propan-2-ylpyridine-2,5-diamine
CID 104506635
5-bromo-3-chloro-N-cyclobutyl-N-methylpyridin-2-amine
CID 103580299
5-(bromomethyl)-N-(cyclopropylmethyl)-3-methyl-N-propan-2-ylpyridin-2-amine
CID 107081997
2-N-(cyclopropylmethyl)-5-methyl-2-N-propan-2-ylpyridine-2,3-diamine
CID 66280411
5-bromo-4-N-(cyclopropylmethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80820735
N-[(3-aminocyclobutyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine
CID 103584238

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-(cyclopropylmethyl)-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-N-(cyclopropylmethyl)-N-propan-2-ylpyridin-2-amine (CID 103583262) is 5-bromo-3-chloro-N-(cyclopropylmethyl)-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-N-(cyclopropylmethyl)-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-N-(cyclopropylmethyl)-N-propan-2-ylpyridin-2-amine is CC(C)N(CC1CC1)c1ncc(Br)cc1Cl.
What is the InChIKey of 5-bromo-3-chloro-N-(cyclopropylmethyl)-N-propan-2-ylpyridin-2-amine?
The InChIKey is IRAUYWPTBZRNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2/c1-8(2)16(7-9-3-4-9)12-11(14)5-10(13)6-15-12/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 5-bromo-3-chloro-N-(cyclopropylmethyl)-N-propan-2-ylpyridin-2-amine?
5-bromo-3-chloro-N-(cyclopropylmethyl)-N-propan-2-ylpyridin-2-amine has a molecular weight of 303.63 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-(cyclopropylmethyl)-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 103583262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).